KEGG   DRUG: Clozapine
Entry
D00283                      Drug                                   
Name
Clozapine (JAN/USP/INN);
Clozaril (TN)
Product
  Generic
Formula
C18H19ClN4
Exact mass
326.1298
Mol weight
326.82
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01476  Dopamine D4-receptor antagonist
 DG03200  Antipsychotic agent
  DG03064  Atypical antipsychotic
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C06924
Therapeutic category: 1179
ATC code: N05AH02
Product: D00283<JP/US>
Efficacy
Antipsychotic
  Disease
Treatment-resistant schizophrenia [DS:H01649]
Comment
Multi-acting receptor targeted antipsychotic (MARTA)
Tricyclic compound
Target
HTR2A [HSA:3356] [KO:K04157]
HTR2C [HSA:3358] [KO:K04157]
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
DRD4 [HSA:1815] [KO:K04147]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP3A4 [HSA:1576]
Interaction
Structure map
map07117  Benzodiazepine family
map07211  Serotonin receptor agonists/antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AH Diazepines, oxazepines, thiazepines and oxepines
     N05AH02 Clozapine
      D00283  Clozapine (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antipsychotics
  Treatment-Resistant
   Clozapine
    D00283  Clozapine (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D00283  Clozapine (JAN/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01476  Dopamine D4-receptor antagonist
    D00283  Clozapine
  DG03200  Antipsychotic agent
   DG03064  Atypical antipsychotic
    D00283  Clozapine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D00283  Clozapine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00283  Clozapine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D00283  Clozapine (JAN/USP/INN) <JP/US>
   Dopamine
    DRD4
     D00283  Clozapine (JAN/USP/INN) <JP/US>
   Serotonin
    HTR2A
     D00283  Clozapine (JAN/USP/INN) <JP/US>
    HTR2C
     D00283  Clozapine (JAN/USP/INN) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D00283  Clozapine (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00283
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00283
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00283
Other DBs
CAS: 5786-21-0
PubChem: 7847349
ChEBI: 3766
PDB-CCD: VBU[PDBj]
LigandBox: D00283
NIKKAJI: J8.061F
LinkDB
KCF data

ATOM        23
            1   C2y C    17.6334  -14.2894
            2   C8y C    16.7913  -13.1798
            3   C8y C    17.1265  -11.8230
            4   N1x N    18.3875  -11.2449
            5   N2x N    19.0392  -14.3146
            6   C8y C    19.6411  -11.8672
            7   C8y C    19.9276  -13.2359
            8   C8x C    16.1194  -10.8546
            9   C8x C    14.7774  -11.2427
            10  C8x C    14.4422  -12.5995
            11  C8x C    15.4493  -13.5676
            12  C8x C    21.2588  -13.6730
            13  C8y C    22.3030  -12.7386
            14  C8x C    22.0166  -11.3699
            15  C8x C    20.6852  -10.9328
            16  N1y N    16.9989  -15.5391
            17  C1x C    15.5973  -15.5391
            18  C1x C    14.8965  -16.7529
            19  N1y N    15.5973  -17.9669
            20  C1x C    16.9989  -17.9669
            21  C1x C    17.6997  -16.7529
            22  X   Cl   23.6578  -13.1837
            23  C1a C    14.8903  -19.1909
BOND        26
            1     3   4 1
            2     1   5 2
            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    1  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   13  22 1
            26   19  23 1

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