KEGG   DRUG: PancoprideHelp
Entry
D05348                      Drug                                   

Name
Pancopride (USAN/INN)
Formula
C18H24ClN3O2
Exact mass
349.1557
Mol weight
349.8551
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01763  Propulsive
 DG01762  Antiemetic
  DG01783  Benzamide type antiemetic
Other
 DG01489  5-HT3-receptor antagonist
Efficacy
Antianxiety, Anti-emetic, Peristaltic accelerator, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D05348  Pancopride (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 121650-80-4
PubChem: 47207033
ChEMBL: CHEMBL2107188
LigandBox: D05348
NIKKAJI: J523.349F
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    13.7200  -17.5700
            2   C5a C    14.9100  -18.2700
            3   N1b N    16.1000  -17.5700
            4   O5a O    14.9100  -19.6700
            5   C1y C    17.2900  -18.2700
            6   C8y C    13.7200  -16.1700
            7   C8x C    12.5300  -15.4700
            8   C8y C    11.2700  -16.1700
            9   C8y C    11.2700  -17.5700
            10  C8x C    12.5300  -18.2700
            11  O2a O    14.9100  -15.4700
            12  C1b C    14.9100  -14.0700
            13  C1y C    16.1000  -13.3700
            14  C1x C    17.5000  -13.3700
            15  C1x C    16.8000  -12.1800
            16  N1a N    10.0800  -15.4700
            17  X   Cl   10.0800  -18.2700
            18  C1x C    17.9200  -19.3200
            19  N1y N    19.3900  -18.6200
            20  C1x C    19.4600  -17.2200
            21  C1x C    20.9300  -19.3900
            22  C1y C    18.6900  -17.4300
            23  C1x C    18.6900  -16.4500
            24  C1x C    20.3000  -18.1300
BOND        27
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     1   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    1  10 1
            11    6  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  13 1
            17    8  16 1
            18    9  17 1
            19   18  19 1
            20   18   5 1
            21   19  20 1
            22   19  21 1
            23   20  23 1
            24   21  24 1
            25   22  23 1
            26   22  24 1
            27   22   5 1

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