KEGG   DRUG: Clomipramine
Entry
D07727                      Drug                                   
Name
Clomipramine (INN);
Anafranil (TN)
Formula
C19H23ClN2
Exact mass
314.155
Mol weight
314.8523
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 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
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP1A2 [HSA:1544], CYP3A4 [HSA:1576], CYP2C19 [HSA:1557]
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01728  Tricyclic antidepressant
   DG00929  Clomipramine
    D07727  Clomipramine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01639  CYP2C19 substrate
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01644  CYP2D6 substrate
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00929  Clomipramine
     D07727  Clomipramine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07727  Clomipramine (INN)
    SLC6A4 (HTT)
     D07727  Clomipramine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07727
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00929  Clomipramine
  DG01728  Tricyclic antidepressant
   DG00929  Clomipramine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00929  Clomipramine
  DG01639  CYP2C19 substrate
   DG00929  Clomipramine
  DG01644  CYP2D6 substrate
   DG00929  Clomipramine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00929  Clomipramine
Other DBs
CAS: 303-49-1
PubChem: 51092023
ChEBI: 47780
PDB-CCD: CXX[PDBj]
LigandBox: D07727
NIKKAJI: J8.630D
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Clomipramine hydrochloride
Entry
D00811                      Drug                                   
Name
Clomipramine hydrochloride (JP18/USP);
Anafranil (TN)
Product
  Generic
Formula
C19H23ClN2. HCl
Exact mass
350.1317
Mol weight
351.3133
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1174 1179
ATC code: N06AA04
Chemical structure group: DG00929
Product (DG00929): D00811<JP/US>
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
  Disease
Obsessive-compulsive disorder [DS:H01450]
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP1A2 [HSA:1544], CYP3A4 [HSA:1576], CYP2C19 [HSA:1557]
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
      D00811  Clomipramine hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  Tricyclics
   Clomipramine
    D00811  Clomipramine hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1174  Imipramines
     D00811  Clomipramine hydrochloride (JP18/USP)
    1179  Others
     D00811  Clomipramine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00929  Clomipramine
    D00811  Clomipramine hydrochloride
  DG01728  Tricyclic antidepressant
   DG00929  Clomipramine
    D00811  Clomipramine hydrochloride
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00929  Clomipramine
    D00811  Clomipramine hydrochloride
  DG01639  CYP2C19 substrate
   DG00929  Clomipramine
    D00811  Clomipramine hydrochloride
  DG01644  CYP2D6 substrate
   DG00929  Clomipramine
    D00811  Clomipramine hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00929  Clomipramine
     D00811  Clomipramine hydrochloride
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   D00811  Clomipramine hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D00811  Clomipramine hydrochloride (JP18/USP) <JP/US>
    SLC6A4 (HTT)
     D00811  Clomipramine hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00811  Clomipramine hydrochloride
  D00811  Clomipramine hydrochloride tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00811
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00811
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00929  Clomipramine
  DG01728  Tricyclic antidepressant
   DG00929  Clomipramine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00929  Clomipramine
  DG01639  CYP2C19 substrate
   DG00929  Clomipramine
  DG01644  CYP2D6 substrate
   DG00929  Clomipramine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00929  Clomipramine
Other DBs
CAS: 17321-77-6
PubChem: 7847876
ChEBI: 3755
LigandBox: D00811
NIKKAJI: J290.331H
LinkDB
KCF data

ATOM        23
            1   C1x C    18.7534  -14.2894
            2   C8y C    17.9113  -13.1798
            3   C8y C    18.2465  -11.8230
            4   N1y N    19.5075  -11.2449
            5   C1x C    20.1592  -14.3146
            6   C8y C    20.7611  -11.8672
            7   C8y C    21.0476  -13.2359
            8   C8x C    17.2394  -10.8546
            9   C8y C    15.8974  -11.2427
            10  C8x C    15.5622  -12.5995
            11  C8x C    16.5693  -13.5676
            12  C8x C    22.3788  -13.6730
            13  C8x C    23.4230  -12.7386
            14  C8x C    23.1366  -11.3699
            15  C8x C    21.8052  -10.9328
            16  X   Cl   14.8980  -10.2821
            17  C1b C    19.5292   -9.8700
            18  C1b C    20.7532   -9.1889
            19  C1b C    21.9216   -9.8884
            20  N1c N    23.1437   -9.2083
            21  C1a C    24.3784   -9.9469
            22  C1a C    23.1657   -7.8400
            23  X   Cl   26.3900  -12.4600
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

» Japanese version   » Back

DBGET integrated database retrieval system