KEGG   DRUG: Cilansetron hydrochloride
Entry
D03496                      Drug                                   

Name
Cilansetron hydrochloride (USAN)
Formula
C20H21N3O. HCl. H2O
Exact mass
373.1557
Mol weight
373.8765
Structure
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
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
      D03496  Cilansetron hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D03496  Cilansetron hydrochloride (USAN)
Other DBs
CAS: 209859-87-0
PubChem: 17397632
LigandBox: D03496
LinkDB
KCF data

ATOM        26
            1   X   Cl   24.8009  -15.9479
            2   O0  O    25.2888  -13.7175
            3   C8y C    18.0231  -15.3010
            4   C8y C    18.0231  -13.9037
            5   C1x C    16.8353  -13.2050
            6   C1x C    15.6476  -13.9037
            7   C1y C    15.6476  -15.3010
            8   C5x C    16.8353  -15.9997
            9   C8y C    19.3505  -15.7202
            10  C8y C    20.1889  -14.6024
            11  N4y N    19.3505  -13.4845
            12  C8y C    21.5863  -14.6024
            13  C8x C    22.2850  -15.7901
            14  C1x C    22.2850  -13.4146
            15  C1x C    21.5863  -12.2269
            16  C1x C    20.1889  -12.2269
            17  C8x C    21.5863  -16.9778
            18  C8x C    20.1889  -16.9778
            19  O5x O    16.8353  -17.3970
            20  C1b C    14.3900  -15.9997
            21  N4y N    13.2022  -15.3010
            22  C8y C    13.2022  -13.9037
            23  N5x N    11.8748  -13.4845
            24  C8x C    11.0363  -14.6024
            25  C8x C    11.8748  -15.7202
            26  C1a C    14.3293  -13.0777
BOND        28
            1     3   4 2
            2     4   5 1
            3     5   6 1
            4     6   7 1
            5     7   8 1
            6     3   8 1
            7     3   9 1
            8     9  10 1
            9    10  11 1
            10    4  11 1
            11   10  12 2
            12   12  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   13  17 2
            17   17  18 1
            18   18   9 2
            19   11  16 1
            20    8  19 2
            21    7  20 1 #Up
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   21  25 1
            28   22  26 1

» Japanese version   » Back

DBGET integrated database retrieval system