KEGG   DRUG: BemesetronHelp
Entry
D03073                      Drug                                   

Name
Bemesetron (USAN/INN)
Formula
C15H17Cl2NO2
Exact mass
313.0636
Mol weight
314.207
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01762  Antiemetic
Efficacy
Anti-emetic, 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
     D03073  Bemesetron (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 40796-97-2
PubChem: 17397228
ChEMBL: CHEMBL1257101 CHEMBL1365455 CHEMBL2107804
LigandBox: D03073
NIKKAJI: J22.994F
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1x C    13.1138  -19.0208
            2   C1x C    13.4419  -17.8491
            3   C1y C    14.2855  -18.7396
            4   C1y C    14.6136  -17.5679
            5   N1y N    13.3482  -16.2556
            6   C1x C    16.1602  -18.7396
            7   C1x C    15.8790  -17.5679
            8   C1y C    17.1913  -19.3020
            9   O7a O    18.2693  -20.1925
            10  C7a C    19.4879  -20.1925
            11  C8y C    20.0972  -19.1145
            12  O6a O    20.0972  -21.3173
            13  C1a C    12.5991  -15.0714
            14  C8x C    21.4900  -19.1017
            15  C8y C    22.1788  -17.8829
            16  C8x C    21.4677  -16.6770
            17  C8y C    20.0750  -16.6897
            18  C8x C    19.3861  -17.9085
            19  X   Cl   19.3546  -15.4687
            20  X   Cl   23.5899  -17.8703
BOND        22
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    4   5 1
            13    7   8 1
            14    5  13 1
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   11  18 1
            21   17  19 1
            22   15  20 1

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