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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (8)transporters (2) Show 10 proteins XML

enzymes (8)transporters (2) Show 10 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:52 UTC

Update Date

2022-03-07 02:52:03 UTC

HMDB ID

HMDB0015620

Secondary Accession Numbers

HMDB15620

Metabolite Identification

Common Name

Mianserin

Description

Mianserin is only found in individuals that have used or taken this drug. It is a tetracyclic compound with antidepressant effects. Mianserin was previously available internationally, however in most markets it has been phased out in favor of Mirtazapine.Mianserin's mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0015620
     RDKit          3D
Mianserin
 40 43  0  0  0  0  0  0  0  0999 V2000
    3.9612    0.3716   -0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    0.0177    0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -1.3730    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -1.4579   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4096   -0.6790   -0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7268   -1.4563   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -2.7503    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -3.6557    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -3.2424    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -1.9236    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288   -1.0298   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    0.3000   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852    1.3927    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    2.3139    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506    3.4359    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    3.6307    1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    2.7019    0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    1.5663    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.7698   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853    0.9733    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243    1.0253   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    1.0035   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224   -0.5369   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -1.6786    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4852   -1.9423   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -2.3377   -1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   -0.8059   -1.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.9880    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901   -4.6658    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -3.9508    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0757   -1.6887   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6205    0.3519   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496    0.4212   -1.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603    2.1595    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376    4.1723    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    4.5272    1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438    2.9018    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    1.0559   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    1.9274   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    1.1432    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20  2  1  0
 19  5  1  0
 11  6  1  0
 18 13  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 17 37  1  0
 19 38  1  0
 20 39  1  0
 20 40  1  0
M  END


  Mrv0541 02231218142D          

 20 23  0  0  1  0            999 V2000
    3.5989   -0.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -1.5635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951   -1.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2028    1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4887    0.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957   -2.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8914    0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085   -0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9133    1.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2732    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984    2.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8823    0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0015620

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21

> <INCHI_IDENTIFIER>
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3

> <INCHI_KEY>
UEQUQVLFIPOEMF-UHFFFAOYSA-N

> <FORMULA>
C18H20N2

> <MOLECULAR_WEIGHT>
264.3648

> <EXACT_MASS>
264.16264865

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
30.761848110730813

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene

> <ALOGPS_LOGP>
3.52

> <JCHEM_LOGP>
3.8311976519999993

> <ALOGPS_LOGS>
-3.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.919772635335798

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
84.49870000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mianserin

> <JCHEM_VEBER_RULE>
1

$$$$

HMDB0015620
     RDKit          3D
Mianserin
 40 43  0  0  0  0  0  0  0  0999 V2000
    3.9612    0.3716   -0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    0.0177    0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -1.3730    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -1.4579   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4096   -0.6790   -0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7268   -1.4563   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -2.7503    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -3.6557    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -3.2424    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -1.9236    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288   -1.0298   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    0.3000   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852    1.3927    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    2.3139    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506    3.4359    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    3.6307    1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    2.7019    0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    1.5663    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.7698   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853    0.9733    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243    1.0253   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    1.0035   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224   -0.5369   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -1.6786    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4852   -1.9423   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -2.3377   -1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   -0.8059   -1.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.9880    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901   -4.6658    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -3.9508    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0757   -1.6887   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6205    0.3519   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496    0.4212   -1.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603    2.1595    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376    4.1723    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    4.5272    1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438    2.9018    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    1.0559   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    1.9274   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    1.1432    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20  2  1  0
 19  5  1  0
 11  6  1  0
 18 13  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 17 37  1  0
 19 38  1  0
 20 39  1  0
 20 40  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       6.718  -1.175   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0       4.203  -2.919   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.386  -0.534   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.100  -1.382   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.857  -2.709   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.057   0.907   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.591  -3.587   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.050  -0.534   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.979   2.063   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.457   2.063   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.379   0.907   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.979  -3.747   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.531   1.113   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.163  -1.599   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.438   3.505   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.843   1.384   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.957   2.543   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.917   3.747   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.638  -1.156   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.980   0.345   0.000  0.00  0.00           C+0
CONECT    1    3    5    8                                                  
CONECT    2    4    7   12                                                  
CONECT    3    1    4    6                                                  
CONECT    4    2    3                                                       
CONECT    5    1    7                                                       
CONECT    6    3    9   13                                                  
CONECT    7    2    5                                                       
CONECT    8    1   11   14                                                  
CONECT    9    6   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11    8   10   16                                                  
CONECT   12    2                                                            
CONECT   13    6   17                                                       
CONECT   14    8   19                                                       
CONECT   15    9   18                                                       
CONECT   16   11   20                                                       
CONECT   17   13   18                                                       
CONECT   18   15   17                                                       
CONECT   19   14   20                                                       
CONECT   20   16   19                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   46    0
END

COMPND    HMDB0243737
HETATM    1  C1  UNL     1      -4.081  -1.199  -0.611  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.820  -0.573  -0.472  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.800   0.515   0.478  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.458   0.617   1.068  1.00  0.00           C  
HETATM    5  N2  UNL     1      -0.473   0.478   0.046  1.00  0.00           N  
HETATM    6  C4  UNL     1       0.364   1.578  -0.177  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.284   2.736   0.226  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.391   3.927   0.093  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.667   3.957  -0.426  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.321   2.817  -0.830  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.632   1.602  -0.694  1.00  0.00           C  
HETATM   12  C10 UNL     1       2.414   0.452  -1.168  1.00  0.00           C  
HETATM   13  C11 UNL     1       2.054  -0.841  -0.539  1.00  0.00           C  
HETATM   14  C12 UNL     1       3.202  -1.527  -0.145  1.00  0.00           C  
HETATM   15  C13 UNL     1       3.180  -2.756   0.449  1.00  0.00           C  
HETATM   16  C14 UNL     1       1.965  -3.329   0.661  1.00  0.00           C  
HETATM   17  C15 UNL     1       0.803  -2.669   0.279  1.00  0.00           C  
HETATM   18  C16 UNL     1       0.810  -1.453  -0.308  1.00  0.00           C  
HETATM   19  C17 UNL     1      -0.442  -0.820  -0.672  1.00  0.00           C  
HETATM   20  C18 UNL     1      -1.712  -1.495  -0.347  1.00  0.00           C  
HETATM   21  H1  UNL     1      -3.990  -2.057  -1.292  1.00  0.00           H  
HETATM   22  H2  UNL     1      -4.795  -0.452  -1.056  1.00  0.00           H  
HETATM   23  H3  UNL     1      -4.471  -1.600   0.354  1.00  0.00           H  
HETATM   24  H4  UNL     1      -3.549   0.319   1.297  1.00  0.00           H  
HETATM   25  H5  UNL     1      -3.194   1.391  -0.059  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.349  -0.385   1.624  1.00  0.00           H  
HETATM   27  H7  UNL     1      -1.275   1.244   1.934  1.00  0.00           H  
HETATM   28  H8  UNL     1      -1.272   2.635   0.610  1.00  0.00           H  
HETATM   29  H9  UNL     1      -0.111   4.830   0.406  1.00  0.00           H  
HETATM   30  H10 UNL     1       2.207   4.901  -0.534  1.00  0.00           H  
HETATM   31  H11 UNL     1       3.307   2.781  -1.238  1.00  0.00           H  
HETATM   32  H12 UNL     1       2.302   0.392  -2.289  1.00  0.00           H  
HETATM   33  H13 UNL     1       3.476   0.667  -0.955  1.00  0.00           H  
HETATM   34  H14 UNL     1       4.167  -1.034  -0.332  1.00  0.00           H  
HETATM   35  H15 UNL     1       4.134  -3.215   0.722  1.00  0.00           H  
HETATM   36  H16 UNL     1       1.916  -4.300   1.127  1.00  0.00           H  
HETATM   37  H17 UNL     1      -0.159  -3.150   0.452  1.00  0.00           H  
HETATM   38  H18 UNL     1      -0.420  -0.657  -1.777  1.00  0.00           H  
HETATM   39  H19 UNL     1      -1.902  -2.265  -1.148  1.00  0.00           H  
HETATM   40  H20 UNL     1      -1.753  -2.061   0.605  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3   20
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6   19
CONECT    6    7    7   11
CONECT    7    8   28
CONECT    8    9    9   29
CONECT    9   10   30
CONECT   10   11   11   31
CONECT   11   12
CONECT   12   13   32   33
CONECT   13   14   14   18
CONECT   14   15   34
CONECT   15   16   16   35
CONECT   16   17   36
CONECT   17   18   18   37
CONECT   18   19
CONECT   19   20   38
CONECT   20   39   40
END

HMDB0015620
     RDKit          3D
Mianserin
 40 43  0  0  0  0  0  0  0  0999 V2000
    3.9612    0.3716   -0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    0.0177    0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -1.3730    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -1.4579   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4096   -0.6790   -0.4535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7268   -1.4563   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831   -2.7503    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -3.6557    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -3.2424    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -1.9236    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288   -1.0298   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    0.3000   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852    1.3927    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    2.3139    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506    3.4359    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985    3.6307    1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    2.7019    0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244    1.5663    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.7698   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853    0.9733    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243    1.0253   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    1.0035   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224   -0.5369   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -1.6786    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4852   -1.9423   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -2.3377   -1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   -0.8059   -1.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625   -2.9880    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901   -4.6658    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986   -3.9508    0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0757   -1.6887   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6205    0.3519   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496    0.4212   -1.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603    2.1595    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376    4.1723    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    4.5272    1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438    2.9018    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    1.0559   -1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    1.9274   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    1.1432    1.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20  2  1  0
 19  5  1  0
 11  6  1  0
 18 13  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  7 28  1  0
  8 29  1  0
  9 30  1  0
 10 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 17 37  1  0
 19 38  1  0
 20 39  1  0
 20 40  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,F)pyrazino(1,2-a)azepine	ChEBI
Mianserina	ChEBI
Mianserine	ChEBI
Mianserinum	ChEBI
Tolvon	Kegg
Hydrochloride, mianserin	MeSH, HMDB
Mianserin hydrochloride	MeSH, HMDB
Mianserin monohydrochloride	MeSH, HMDB
Lerivon	MeSH, HMDB
Monohydrochloride, mianserin	MeSH, HMDB
Org GB 94	MeSH, HMDB

Chemical Formula

C₁₈H₂₀N₂

Average Molecular Weight

264.3648

Monoisotopic Molecular Weight

264.16264865

IUPAC Name

5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene

Traditional Name

mianserin

CAS Registry Number

24219-97-4

SMILES

CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21

InChI Identifier

InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3

InChI Key

UEQUQVLFIPOEMF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzazepines. Dibenzazepines are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzazepines

Sub Class

Dibenzazepines

Direct Parent

Dibenzazepines

Alternative Parents

Substituents

Dibenzazepine
Piperazino-azepine
Dialkylarylamine
Tertiary aliphatic/aromatic amine
Aralkylamine
N-alkylpiperazine
N-methylpiperazine
Azepine
Benzenoid
Piperazine
1,4-diazinane
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dibenzoazepine (CHEBI:51137 )

Ontology

Not Available

Urine (PMID: 21059682)

Non-excretory biofluid

Blood (PMID: 21059682)

Cellular substructure

Membrane (HMDB: HMDB0015620)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.23 g/L	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	CBM	164.5	30932474

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.23 g/L	ALOGPS
logP	3.52	ALOGPS
logP	3.83	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Basic)	6.92	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	6.48 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	84.5 m³·mol⁻¹	ChemAxon
Polarizability	30.76 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	161.647	31661259
DarkChem	[M-H]-	159.756	31661259
DeepCCS	[M-2H]-	189.943	30932474
DeepCCS	[M+Na]+	165.507	30932474
AllCCS	[M+H]+	162.7	32859911
AllCCS	[M+H-H2O]+	158.9	32859911
AllCCS	[M+NH4]+	166.2	32859911
AllCCS	[M+Na]+	167.3	32859911
AllCCS	[M-H]-	172.0	32859911
AllCCS	[M+Na-2H]-	171.2	32859911
AllCCS	[M+HCOO]-	170.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Mianserin	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21	3313.3	Standard polar	33892256
Mianserin	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21	2209.5	Standard non polar	33892256
Mianserin	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21	2186.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Mianserin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0075-0390000000-5eafc66a2a866ea518a2	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mianserin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mianserin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-014i-0090000000-49135d3660182f98e5f9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-014i-0090000000-49da9cd1f48c7c59b19c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-0aor-4390000000-a6944a5b23139d184375	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-0a4i-8960000000-91b2a10929bb6f8a03e8	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-0a4l-6920000000-c2fd706d219cb46dce7c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-0aou-6910000000-21ad202872a2bb0e4644	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-014l-7910000000-e01badcead1453e1b202	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-014l-8900000000-a181ec3c5cb717213c41	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin LC-ESI-QFT , positive-QTOF	splash10-014i-9700000000-0617c8ac60e03f3e0784	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin 15V, Positive-QTOF	splash10-014i-0090000000-ba7681c79fe8a4ba59e9	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin 90V, Positive-QTOF	splash10-0aou-6910000000-e167a1117afd08c6d78e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin 75V, Positive-QTOF	splash10-0a4l-6920000000-08891cd9dd3563a68575	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin 30V, Positive-QTOF	splash10-014i-0090000000-c5f5381432dcb2616e73	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin 45V, Positive-QTOF	splash10-0aor-4290000000-fb01e091e2313afb98a2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mianserin 60V, Positive-QTOF	splash10-0a4i-9870000000-1fa149bdec9236f36134	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 10V, Positive-QTOF	splash10-014i-0090000000-7b78167a8e187b0dfb5b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 20V, Positive-QTOF	splash10-014i-0090000000-04c8704effb3cd1ff4ed	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 40V, Positive-QTOF	splash10-0006-7980000000-8a47c05b188d9c4da897	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 10V, Negative-QTOF	splash10-03di-0090000000-18e557221e4d4865372a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 20V, Negative-QTOF	splash10-03di-0090000000-45c02349685bee4628f8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 40V, Negative-QTOF	splash10-0006-0910000000-9be5a0a92940f55d1f2b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 10V, Positive-QTOF	splash10-014i-0090000000-36c7dd6f4d455ec0c23e	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 20V, Positive-QTOF	splash10-014i-0090000000-ced1477b0d8b3266fd9d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 40V, Positive-QTOF	splash10-052f-7980000000-3fb1aa0f8693c196c7dc	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mianserin 10V, Negative-QTOF	splash10-03di-0090000000-81ccc7ccef803f104ccb	2021-10-11	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB06148	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB06148	21059682	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4040

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Mianserin

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

51137

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

de Boer TH, Nefkens F, van Helvoirt A, van Delft AM: Differences in modulation of noradrenergic and serotonergic transmission by the alpha-2 adrenoceptor antagonists, mirtazapine, mianserin and idazoxan. J Pharmacol Exp Ther. 1996 May;277(2):852-60. [PubMed:8627567 ]
Koyama E, Chiba K, Tani M, Ishizaki T: Identification of human cytochrome P450 isoforms involved in the stereoselective metabolism of mianserin enantiomers. J Pharmacol Exp Ther. 1996 Jul;278(1):21-30. [PubMed:8764331 ]
Kelder J, Funke C, De Boer T, Delbressine L, Leysen D, Nickolson V: A comparison of the physicochemical and biological properties of mirtazapine and mianserin. J Pharm Pharmacol. 1997 Apr;49(4):403-11. [PubMed:9232538 ]

Enzymes

Enzyme Details

1. Cytochrome P450 3A4

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:: CYP3A4
Uniprot ID:: P08684
Molecular weight:: 57255.585

References

Rojdmark S, von Bahr C: [Metabolic interaction between psychopharmaceuticals. Probable cause of exacerbation of hypothyroidism according to a case report]. Lakartidningen. 2002 Jun 20;99(25):2854-6. [PubMed:12143142 ]
Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

2. Cytochrome P450 2D6

General function:: Involved in monooxygenase activity
Specific function:: Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:: CYP2D6
Uniprot ID:: P10635
Molecular weight:: 55768.94

References

Rojdmark S, von Bahr C: [Metabolic interaction between psychopharmaceuticals. Probable cause of exacerbation of hypothyroidism according to a case report]. Lakartidningen. 2002 Jun 20;99(25):2854-6. [PubMed:12143142 ]
Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

3. Cytochrome P450 2B6

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.
Gene Name:: CYP2B6
Uniprot ID:: P20813
Molecular weight:: 56277.81

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

4. Cytochrome P450 1A2

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin.
Gene Name:: CYP1A2
Uniprot ID:: P05177
Molecular weight:: 58406.915

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

5. Alpha-2A adrenergic receptor

General function:: Involved in G-protein coupled receptor protein signaling pathway
Specific function:: Alpha-2 adrenergic receptors mediate the catecholamine- induced inhibition of adenylate cyclase through the action of G proteins. The rank order of potency for agonists of this receptor is oxymetazoline > clonidine > epinephrine > norepinephrine > phenylephrine > dopamine > p-synephrine > p-tyramine > serotonin = p-octopamine. For antagonists, the rank order is yohimbine > phentolamine = mianserine > chlorpromazine = spiperone = prazosin > propanolol > alprenolol = pindolol
Gene Name:: ADRA2A
Uniprot ID:: P08913
Molecular weight:: 48956.3

References

Dekeyne A, Millan MJ: Discriminative stimulus properties of the selective and highly potent alpha2-adrenoceptor agonist, S18616, in rats: mediation by the alpha2A subtype, and blockade by the atypical antidepressants, mirtazapine and mianserin. Neuropharmacology. 2006 Sep;51(4):718-26. Epub 2006 Jun 30. [PubMed:16814817 ]

Enzyme Details

6. 5-hydroxytryptamine receptor 2A

General function:: Involved in G-protein coupled receptor protein signaling pathway
Specific function:: This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. This receptor mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system. This receptor is involved in tracheal smooth muscle contraction, bronchoconstriction, and control of aldosterone production
Gene Name:: HTR2A
Uniprot ID:: P28223
Molecular weight:: 52602.6

References

Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90. [PubMed:11004734 ]

Enzyme Details

7. 5-hydroxytryptamine receptor 2C

General function:: Involved in G-protein coupled receptor protein signaling pathway
Specific function:: This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. This receptor mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system
Gene Name:: HTR2C
Uniprot ID:: P28335
Molecular weight:: 51820.7

References

Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90. [PubMed:11004734 ]

Enzyme Details

8. Histamine H1 receptor

General function:: Involved in G-protein coupled receptor protein signaling pathway
Specific function:: In peripheral tissues, the H1 subclass of histamine receptors mediates the contraction of smooth muscles, increase in capillary permeability due to contraction of terminal venules, and catecholamine release from adrenal medulla, as well as mediating neurotransmission in the central nervous system
Gene Name:: HRH1
Uniprot ID:: P35367
Molecular weight:: 55783.6

References

Csaba G, Kovacs P, Pallinger E: Prolonged effect of the tricyclic antidepressant, mianserin on the serotonin and histamine content of young rats' white blood cells and mast cells. A case of late-imprinting. Pharmacol Res. 2003 Nov;48(5):457-60. [PubMed:12967590 ]
Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90. [PubMed:11004734 ]
Nowak JZ, Arrang JM, Schwartz JC, Garbarg M: Interaction between mianserin, an antidepressant drug, and central H1- and H2-histamine-receptors: in vitro and in vivo studies and radioreceptor assay. Neuropharmacology. 1983 Mar;22(3):259-66. [PubMed:6302549 ]

Transporters

Enzyme Details

1. Sodium-dependent noradrenaline transporter

General function:: Involved in neurotransmitter:sodium symporter activity
Specific function:: Amine transporter. Terminates the action of noradrenaline by its high affinity sodium-dependent reuptake into presynaptic terminals.
Gene Name:: SLC6A2
Uniprot ID:: P23975
Molecular weight:: 69331.42

References

Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58. [PubMed:9537821 ]

Enzyme Details

2. Sodium-dependent serotonin transporter

General function:: Involved in neurotransmitter:sodium symporter activity
Specific function:: Serotonin transporter whose primary function in the central nervous system involves the regulation of serotonergic signaling via transport of serotonin molecules from the synaptic cleft back into the pre-synaptic terminal for re-utilization. Plays a key role in mediating regulation of the availability of serotonin to other receptors of serotonergic systems. Terminates the action of serotonin and recycles it in a sodium-dependent manner.
Gene Name:: SLC6A4
Uniprot ID:: P31645
Molecular weight:: 70324.165

References

Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58. [PubMed:9537821 ]

Showing metabocard for Mianserin (HMDB0015620)

MOL for HMDB0015620 (Mianserin)

3D MOL for HMDB0015620 (Mianserin)

3D SDF for HMDB0015620 (Mianserin)

3D-SDF for HMDB0015620 (Mianserin)

PDB for HMDB0015620 (Mianserin)

3D PDB for HMDB0015620 (Mianserin)

SMILES for HMDB0015620 (Mianserin)

INCHI for HMDB0015620 (Mianserin)

Structure for HMDB0015620 (Mianserin)

3D Structure for HMDB0015620 (Mianserin)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

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Transporters

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