KEGG   DRUG: NemonaprideHelp
Entry
D01468                      Drug                                   

Name
Nemonapride (JAN/INN);
Emilace (TN)
Formula
C21H26ClN3O2
Exact mass
387.1714
Mol weight
387.903
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01941  Benzamide antipsychotic
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
  DG01475  Dopamine D3-receptor antagonist
  DG01476  Dopamine D4-receptor antagonist
Remark
Same as: C12915
Therapeutic category: 1179
Product: D01468<JP>
Efficacy
Antipsychotic, Dopamine receptor antagonist
Comment
Benzamide derivative
Target
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07213  Dopamine receptor agonists/antagonists
Brite
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
     D01468  Nemonapride (JAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01468  Nemonapride (JAN/INN) <JP>
BRITE hierarchy
Other DBs
CAS: 75272-39-8
PubChem: 7848531
ChEBI: 31899 64219
ChEMBL: CHEMBL2261102
PDB-CCD: AQD[PDBj]
LigandBox: D01468
NIKKAJI: J259.346G
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    32.7589  -18.1959
            2   C1x C    33.1864  -19.5720
            3   C1x C    34.5731  -19.5913
            4   N1y N    35.0196  -18.2783
            5   C1y C    33.9091  -17.4477
            6   C8y C    29.1082  -17.5095
            7   C8y C    29.1082  -16.1033
            8   C8x C    27.9062  -18.2037
            9   C5a C    30.3276  -18.2037
            10  C8x C    27.9062  -15.3974
            11  O2a O    30.3276  -15.3974
            12  C8y C    26.6868  -17.5095
            13  N1b N    31.5410  -17.5035
            14  O5a O    30.3276  -19.6097
            15  C8y C    26.6868  -16.1033
            16  X   Cl   25.4734  -18.2037
            17  N1b N    25.4734  -15.3974
            18  C1a C    24.2622  -16.0914
            19  C1b C    36.1985  -17.6066
            20  C8y C    37.4141  -18.2932
            21  C8x C    37.3542  -19.6860
            22  C8x C    38.6394  -20.3726
            23  C8x C    39.8417  -19.6632
            24  C8x C    39.8284  -18.2674
            25  C8x C    38.6131  -17.5808
            26  C1a C    30.3290  -13.9734
            27  C1a C    33.9558  -16.0321
BOND        29
            1     8  12 1
            2     9  13 1
            3     9  14 2
            4    10  15 1
            5    12  16 1
            6     1  13 1 #Up
            7    15  17 1
            8    12  15 2
            9     6   7 1
            10    6   8 2
            11   17  18 1
            12    6   9 1
            13    2   3 1
            14    4  19 1
            15    3   4 1
            16   19  20 1
            17    4   5 1
            18    5   1 1
            19    1   2 1
            20    7  10 2
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  20 1
            27    7  11 1
            28   11  26 1
            29    5  27 1 #Up

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