KEGG   DRUG: CilansetronHelp
Entry
D03495                      Drug                                   

Name
Cilansetron (USAN/INN)
Formula
C20H21N3O
Exact mass
319.1685
Mol weight
319.4002
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01489  5-HT3-receptor antagonist
Remark
ATC code: A03AE03
Chemical structure group: DG00047
Efficacy
Antidiarrheal, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AE Serotonin receptor antagonists
     A03AE03 Cilansetron
      D03495  Cilansetron (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D03495  Cilansetron (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 120635-74-7
PubChem: 17397631
ChEMBL: CHEMBL2103778
LigandBox: D03495
NIKKAJI: J554.930B
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    19.4600  -15.2600
            2   C8y C    19.4600  -13.8600
            3   C1x C    18.2700  -13.1600
            4   C1x C    17.0800  -13.8600
            5   C1y C    17.0800  -15.2600
            6   C5x C    18.2700  -15.9600
            7   C8y C    20.7900  -15.6800
            8   C8y C    21.6300  -14.5600
            9   N4y N    20.7900  -13.4400
            10  C8y C    23.0300  -14.5600
            11  C8x C    23.7300  -15.7500
            12  C1x C    23.7300  -13.3700
            13  C1x C    23.0300  -12.1800
            14  C1x C    21.6300  -12.1800
            15  C8x C    23.0300  -16.9400
            16  C8x C    21.6300  -16.9400
            17  O5x O    18.2700  -17.3600
            18  C1b C    15.8200  -15.9600
            19  N4y N    14.6300  -15.2600
            20  C8y C    14.6300  -13.8600
            21  N5x N    13.3000  -13.4400
            22  C8x C    12.4600  -14.5600
            23  C8x C    13.3000  -15.6800
            24  C1a C    15.7592  -13.0324
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    2   9 1
            11    8  10 2
            12   10  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   11  15 2
            17   15  16 1
            18   16   7 2
            19    9  14 1
            20    6  17 2
            21    5  18 1 #Up
            22   18  19 1
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   19  23 1
            28   20  24 1

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