KEGG   DRUG: Chlorpromazine hibenzateHelp
Entry
D03274                      Drug                                   

Name
Chlorpromazine hibenzate (JAN);
Contomin (TN)
Formula
C17H19ClN2S. C14H10O4
Exact mass
560.1537
Mol weight
561.091
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01905  Phenothiazine antipsychotics
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
 DG01491  Muscarinic cholinergic receptor antagonist
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N05AA01
Chemical structure group: DG00867
Product (DG00867): D00789<JP/US> D04034<JP>
Efficacy
Antipsychotic
Comment
Phenothiazine derivative
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
HRH1 [HSA:3269] [KO:K04149]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
DRD2 [HSA:1813] [KO:K04145]
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
map07028  Antipsychotics
map07029  Antipsychotics - phenothiazines
map07212  Histamine H1 receptor antagonists
map07213  Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AA Phenothiazines with aliphatic side-chain
     N05AA01 Chlorpromazine
      D03274  Chlorpromazine hibenzate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D03274  Chlorpromazine hibenzate (JAN)
   Adrenaline
    ADRA2
     D03274  Chlorpromazine hibenzate (JAN)
   Dopamine
    DRD2
     D03274  Chlorpromazine hibenzate (JAN)
   Histamine
    HRH1
     D03274  Chlorpromazine hibenzate (JAN)
   Serotonin
    HTR2
     D03274  Chlorpromazine hibenzate (JAN)
BRITE hierarchy
Other DBs
PubChem: 17397426
DrugBank: DB00477
LigandBox: D03274
KCF data Show

ATOM        39
            1   C8x C    18.0665  -18.4415
            2   C8x C    18.0665  -19.8441
            3   C8x C    19.2811  -20.5454
            4   C8y C    20.4959  -19.8441
            5   C8y C    20.4959  -18.4415
            6   C8x C    19.2811  -17.7402
            7   S2x S    21.7106  -20.5454
            8   C8y C    22.9253  -19.8441
            9   C8y C    22.9253  -18.4415
            10  N4y N    21.7106  -17.7402
            11  C8x C    24.1401  -20.5454
            12  C8x C    25.3547  -19.8441
            13  C8y C    25.3547  -18.4415
            14  C8x C    24.1401  -17.7402
            15  C1b C    21.7106  -16.3375
            16  C1b C    22.9274  -15.6350
            17  C1b C    24.1261  -16.3273
            18  N1c N    25.3152  -15.6408
            19  C1a C    26.5089  -16.3303
            20  C1a C    25.3154  -14.2338
            21  X   Cl   26.5735  -17.7379
            22  C8x C    29.6100  -18.3400
            23  C8y C    29.6100  -19.7400
            24  C8x C    30.8224  -20.4400
            25  C8x C    32.0349  -19.7400
            26  C8y C    32.0349  -18.3400
            27  C8x C    30.8224  -17.6400
            28  C8x C    34.4597  -19.7400
            29  C8y C    34.4597  -18.3400
            30  C5a C    33.2473  -17.6400
            31  C8x C    35.6722  -20.4400
            32  C8x C    36.8846  -19.7400
            33  C8x C    36.8846  -18.3400
            34  C8y C    35.6722  -17.6400
            35  O1a O    28.3976  -20.4400
            36  O5a O    33.2473  -16.2400
            37  C6a C    35.6722  -16.2403
            38  O6a O    36.9054  -15.5280
            39  O6a O    34.4806  -15.5522
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   13  21 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   28  29 1
            31   29  30 1
            32   26  30 1
            33   28  31 2
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   29  34 2
            38   23  35 1
            39   30  36 2
            40   34  37 1
            41   37  38 1
            42   37  39 2

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