KEGG   DRUG: ClomipramineHelp
Entry
D07727                      Drug                                   

Name
Clomipramine (INN);
Anafranil (TN)
Formula
C19H23ClN2
Exact mass
314.155
Mol weight
314.8523
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Enzyme substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Remark
Same as: C06918
ATC code: N06AA04
Chemical structure group: DG00929
Product (DG00929): D00811<JP/US>
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP1A2 [HSA:1544], CYP3A4 [HSA:1576], CYP2C19 [HSA:1557]
Interaction
Drug interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AA Non-selective monoamine reuptake inhibitors
     N06AA04 Clomipramine
      D07727  Clomipramine (INN)
USP drug classification [BR:br08302]
 Antidepressants
  Tricyclics
   Clomipramine
    D07727  Clomipramine (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07727  Clomipramine (INN)
    SLC6A4 (HTT)
     D07727  Clomipramine (INN)
BRITE hierarchy
Other DBs
CAS: 303-49-1
PubChem: 51092023
ChEBI: 47780
ChEMBL: CHEMBL415
DrugBank: DB01242
PDB-CCD: CXX[PDBj]
LigandBox: D07727
NIKKAJI: J8.630D
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1x C    23.3100  -21.2100
            2   C8y C    22.4700  -20.0900
            3   C8y C    22.7500  -18.6900
            4   N1y N    24.0800  -18.1300
            5   C1x C    24.7100  -21.2100
            6   C8y C    25.2700  -18.7600
            7   C8y C    25.6200  -20.1600
            8   C8x C    21.7700  -17.7800
            9   C8y C    20.4400  -18.1300
            10  C8x C    20.0900  -19.5300
            11  C8x C    21.0700  -20.4400
            12  C8x C    26.9500  -20.5800
            13  C8x C    28.0000  -19.6700
            14  C8x C    27.7200  -18.2700
            15  C8x C    26.3200  -17.8500
            16  X   Cl   19.3900  -17.1500
            17  C1b C    24.0800  -16.7300
            18  C1b C    25.2700  -16.1000
            19  C1b C    26.4600  -16.8000
            20  N1c N    27.7200  -16.1000
            21  C1a C    28.9100  -16.8700
            22  C1a C    27.7200  -14.7000
BOND        24
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    9  16 1
            19    4  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 1

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