| Entry |
|
|---|
| Name |
Cilansetron hydrochloride (USAN) |
|---|
| Formula |
C20H21N3O. HCl. H2O
|
|---|
| Exact mass |
373.1557
|
|---|
| Mol weight |
373.8765
|
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| Structure |
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| Simcomp |
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| Class |
Other
DG01489 5-HT3-receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidiarrheal, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
|
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| Pathway |
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| Interaction |
|
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| 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)
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| Other DBs |
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| LinkDB |
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| 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
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