| Entry |
|
|---|
| Name |
Itasetron (USAN/INN) |
|---|
| Formula |
C16H20N4O2
|
|---|
| Exact mass |
300.1586
|
|---|
| Mol weight |
300.36
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01762 Antiemetic
|
|---|
| Remark |
|
|---|
| Efficacy |
Antianxiety, Antidepressant, Anti-emetic, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01240 Itasetron
D04642 Itasetron
DG01762 Antiemetic
DG01240 Itasetron
D04642 Itasetron
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D04642 Itasetron (USAN/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01240 Itasetron
DG01762 Antiemetic
DG01240 Itasetron
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C1x C 13.4638 -15.1008
2 C1x C 13.7919 -13.9291
3 C1y C 14.6355 -14.8196
4 C1y C 14.9636 -13.6479
5 N1y N 13.6982 -12.3356
6 C1x C 16.5102 -14.8196
7 C1x C 16.2290 -13.6479
8 C1y C 17.5413 -15.3820
9 N1b N 18.6193 -16.2725
10 C5a C 19.8379 -16.2725
11 N4y N 20.4472 -15.1945
12 O5a O 20.4472 -17.3973
13 C8y C 21.6658 -15.1945
14 C1a C 12.9491 -11.1514
15 C8y C 22.0424 -14.0355
16 N4x N 21.0565 -13.3193
17 C8y C 20.0706 -14.0355
18 O5x O 18.7669 -13.6125
19 C8x C 22.6026 -16.2349
20 C8x C 23.9720 -15.9438
21 C8x C 24.3486 -14.7849
22 C8x C 23.4118 -13.7445
BOND 25
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 11 13 1
13 4 5 1
14 7 8 1
15 5 14 1
16 13 15 1
17 15 16 1
18 16 17 1
19 11 17 1
20 17 18 2
21 13 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 15 22 2
|
|---|
