KEGG   DRUG: D07700Help
Entry
D07700                      Drug                                   

Name
Cinitapride (INN);
Paxapride (TN)
Formula
C21H30N4O4
Exact mass
402.2267
Mol weight
402.4873
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiemetic
Remark
Drug group: 
Target
5-HT1-receptor agonist [HSA:3350 3351 3352 3354 3355] [KO:K04153];
5-HT4-receptor agonist [HSA:3360] [KO:K04160];
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157]
Other DBs
CAS: 
66564-14-5
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    13.3700  -15.8200
            2   C8y C    13.3700  -14.4200
            3   C8x C    14.5600  -13.7200
            4   C8y C    15.8200  -14.4200
            5   C8y C    15.8200  -15.8200
            6   C8x C    14.5600  -16.5200
            7   N2b N    12.1800  -16.5200 #+
            8   N1a N    12.1800  -13.7200
            9   O2a O    17.0100  -13.7200
            10  C1b C    18.2000  -14.4200
            11  C1a C    19.3900  -13.7200
            12  C5a C    17.0100  -16.5200
            13  N1b N    18.2000  -15.8200
            14  C1y C    19.3900  -16.5200
            15  C1x C    20.5800  -15.8200
            16  C1x C    21.7700  -16.5200
            17  N1y N    21.7700  -17.9200
            18  C1x C    20.5800  -18.6200
            19  C1x C    19.3900  -17.9200
            20  C1b C    23.0300  -18.6200
            21  C1y C    24.2200  -17.9200
            22  C1x C    24.2200  -16.5200
            23  C1x C    25.4100  -15.8200
            24  C2x C    26.6000  -16.5200
            25  C2x C    26.6000  -17.9200
            26  C1x C    25.4100  -18.6200
            27  O3a O    10.7100  -15.7500 #-
            28  O3a O    12.1800  -17.9200
            29  O5a O    17.0100  -17.9200
BOND        31
            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     1   7 1
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   17  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   21  26 1
            29    7  27 1
            30    7  28 2
            31   12  29 2

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