| Entry |
|
|---|
| Name |
Azasetron (INN) |
|---|
| Formula |
C17H20ClN3O3
|
|---|
| Exact mass |
349.1193
|
|---|
| Mol weight |
349.81
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01762 Antiemetic
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-emetic, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07211 | Serotonin receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01521 Azasetron
D07481 Azasetron
DG01762 Antiemetic
DG01521 Azasetron
D07481 Azasetron
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D07481 Azasetron (INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01521 Azasetron
DG01762 Antiemetic
DG01521 Azasetron
|
|---|
| Other DBs |
|
|---|
| LinkDB |
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|---|
| KCF data |
ATOM 24
1 C1y C 21.7700 -18.9000
2 N1b N 22.8200 -19.7400
3 C5a C 24.0100 -19.7400
4 C8y C 24.7100 -18.6200
5 O5a O 24.7100 -20.9300
6 C8y C 26.0400 -18.6200
7 O2x O 26.7400 -19.9500
8 C1x C 28.1400 -19.9500
9 C5x C 28.8400 -18.6200
10 N1y N 28.1400 -17.4300
11 C8y C 26.7400 -17.4300
12 C1x C 21.0700 -19.9500
13 N1y N 19.6000 -19.0400
14 C1x C 19.6000 -17.7800
15 C1x C 18.0600 -19.8800
16 C1y C 20.3700 -17.9900
17 C1x C 20.3700 -17.0100
18 C1x C 18.7600 -18.6900
19 C8x C 26.0400 -16.1700
20 C8y C 24.7100 -16.1700
21 C8x C 23.9400 -17.3600
22 X Cl 23.9400 -14.9100
23 O5x O 30.3100 -18.6200
24 C1a C 28.8400 -16.2400
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 2
5 4 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 6 11 2
12 12 13 1
13 12 1 1
14 13 14 1
15 13 15 1
16 1 16 1
17 14 17 1
18 15 18 1
19 16 17 1
20 16 18 1
21 11 19 1
22 19 20 2
23 20 21 1
24 4 21 2
25 20 22 1
26 9 23 2
27 10 24 1
|
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