KEGG   DRUG: Remoxipride hydrochlorideHelp
Entry
D02683                      Drug                                   

Name
Remoxipride hydrochloride (USAN)
Formula
C16H23BrN2O3. HCl. H2O
Exact mass
424.0764
Mol weight
425.7456
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01941  Benzamide antipsychotic
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Remark
ATC code: N05AL04
Chemical structure group: DG00902
Efficacy
Antipsychotic, Dopamine D2 receptor antagonist
Comment
Benzamide derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AL Benzamides
     N05AL04 Remoxipride
      D02683  Remoxipride hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02683  Remoxipride hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 117591-79-4
PubChem: 17396852
ChEMBL: CHEMBL3989556
DrugBank: DB00409
LigandBox: D02683
NIKKAJI: J2.194.809H
LinkDB All DBs
KCF data Show

ATOM        24
            1   X   Cl   24.9677  -15.8336
            2   O0  O    25.3079  -17.8616
            3   C8x C    12.5300  -17.1500
            4   C8x C    12.5300  -15.7500
            5   C8y C    13.7900  -15.0500
            6   C8y C    13.7900  -17.8500
            7   C8y C    14.9800  -17.1500
            8   C8y C    14.9800  -15.7500
            9   O2a O    16.1700  -15.0500
            10  C5a C    16.1700  -17.8500
            11  N1b N    17.4300  -17.1500
            12  C1b C    18.6200  -17.8500
            13  O5a O    16.1700  -19.2500
            14  C1a C    16.1700  -13.6500
            15  C1y C    19.8800  -17.2200
            16  N1y N    21.0000  -17.9900
            17  C1x C    22.1200  -17.1500
            18  C1x C    21.6300  -15.8900
            19  C1x C    20.3000  -15.8900
            20  C1b C    21.0000  -19.3200
            21  C1a C    22.3300  -20.0900
            22  X   Br   13.7900  -13.6500
            23  O2a O    13.7900  -19.2500
            24  C1a C    12.6000  -20.0200
BOND        23
            1    11  10 1
            2    10   7 1
            3     3   4 2
            4     4   5 1
            5    12  11 1
            6     5   8 2
            7     7   6 2
            8     6   3 1
            9    10  13 2
            10    7   8 1
            11    8   9 1
            12    9  14 1
            13   15  12 1 #Down
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   15  19 1
            19   16  20 1
            20   20  21 1
            21    5  22 1
            22    6  23 1
            23   23  24 1

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