KEGG   DRUG: ClocapramineHelp
Entry
D07718                      Drug                                   

Name
Clocapramine (INN)
Formula
C28H37ClN4O
Exact mass
480.2656
Mol weight
481.0726
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01942  Iminobenzyl antipsychotic
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
Chemical structure group: DG01313
Product (DG01313): D02371<JP>
Efficacy
Antipsychotic, Neuroleptic, Dopamine D2 receptor antagonist
Comment
Iminodibenzyl derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction
Interaction
Drug interaction
Structure map
map07213  Dopamine receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D07718  Clocapramine (INN)
BRITE hierarchy
Other DBs
CAS: 47739-98-0
PubChem: 51092014
ChEMBL: CHEMBL2104103
LigandBox: D07718
NIKKAJI: J10.005F
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1x C    15.6608  -20.6997
            2   C8y C    14.8216  -19.5807
            3   C8y C    15.1713  -18.2519
            4   N1y N    16.4301  -17.6924
            5   C1x C    17.0595  -20.6997
            6   C8y C    17.6890  -18.3218
            7   C8y C    17.9687  -19.6506
            8   C8x C    14.1222  -17.2728
            9   C8y C    12.7934  -17.6924
            10  C8x C    12.4437  -19.0212
            11  C8x C    13.4928  -20.0003
            12  C8x C    19.2276  -20.0702
            13  C8x C    20.2766  -19.1611
            14  C8x C    19.9969  -17.7623
            15  C8x C    18.6681  -17.3427
            16  C1b C    16.4301  -16.2937
            17  C1b C    17.6190  -15.6642
            18  C1b C    18.8779  -16.3636
            19  N1y N    20.0668  -15.7342
            20  C1x C    21.2557  -16.4335
            21  C1x C    22.5146  -15.8041
            22  C1z C    22.5146  -14.4054
            23  C1x C    21.3257  -13.7060
            24  C1x C    20.0668  -14.3354
            25  N1y N    23.7035  -13.7759
            26  C1x C    24.8924  -14.4753
            27  C1x C    26.0814  -13.7759
            28  C1x C    26.0814  -12.4471
            29  C1x C    24.9624  -11.6778
            30  C1x C    23.7035  -12.3772
            31  C5a C    23.8434  -15.7342
            32  N1a N    25.0323  -15.1047
            33  O5a O    23.8434  -17.1329
            34  X   Cl   11.7972  -16.7434
BOND        38
            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    4  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   25  30 1
            35   22  31 1
            36   31  32 1
            37   31  33 2
            38    9  34 1

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