KEGG   COMPOUND: C12915
Entry
C12915                      Compound                               
Name
Nemonapride
Formula
C21H26ClN3O2
Exact mass
387.1714
Mol weight
387.903
Structure
Remark
Same as: D01468
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01478  Dopamine antagonist
   DG01474  Dopamine D2-receptor antagonist
    D01468  Nemonapride
  DG03200  Antipsychotic agent
   DG01941  Benzamide antipsychotic
    D01468  Nemonapride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D01468  Nemonapride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D01468  Nemonapride (JAN/INN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01468
Other DBs
CAS: 75272-39-8
PubChem: 583304
ChEBI: 31899 64219
PDB-CCD: AQD[PDBj]
NIKKAJI: J259.346G
LinkDB
KCF data

ATOM        27
            1   C1y C    32.8090  -18.1848
            2   C1x C    33.2362  -19.6301
            3   C1x C    34.6221  -19.5794
            4   N1y N    35.0683  -18.2672
            5   C1y C    33.9585  -17.4371
            6   C8y C    29.1605  -17.4989
            7   C8y C    29.1605  -16.0935
            8   C8x C    27.9592  -18.1926
            9   C5a C    30.3792  -18.1926
            10  C8x C    27.9592  -15.3880
            11  O2a O    30.3792  -15.3880
            12  C8y C    26.7406  -17.4989
            13  N1b N    31.5918  -17.4929
            14  O5a O    30.3792  -19.5978
            15  C8y C    26.7406  -16.0935
            16  X   Cl   25.5279  -18.1926
            17  N1b N    25.5279  -15.3880
            18  C1a C    24.3175  -16.0816
            19  C1b C    36.2465  -17.5959
            20  C8y C    37.4614  -18.2821
            21  C8x C    37.4715  -19.6740
            22  C8x C    38.6859  -20.3602
            23  C8x C    39.8875  -19.6513
            24  C8x C    39.8742  -18.2563
            25  C8x C    38.6596  -17.5701
            26  C1a C    30.3806  -13.9649
            27  C1a C    34.0052  -16.0224
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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