| Entry |
|
|---|
| Name |
Fabesetron hydrochloride (JAN) |
|---|
| Formula |
C18H19N3O. HCl
|
|---|
| Exact mass |
329.1295
|
|---|
| Mol weight |
329.82
|
|---|
| Structure |
|
|---|
| Class |
Gastrointestinal agent
DG01762 Antiemetic
|
|---|
| Efficacy |
Anti-emetic, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01762 Antiemetic
D01838 Fabesetron hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR4
D01838 Fabesetron hydrochloride (JAN)
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D01838 Fabesetron hydrochloride (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 N4y N 31.4356 -16.1872
2 C8y C 32.7695 -16.6319
3 C8y C 31.4415 -14.7831
4 C5x C 30.2304 -16.8893
5 C8y C 33.5887 -15.4911
6 C8y C 32.7812 -14.3560
7 C1x C 30.2304 -14.0869
8 C1y C 29.0134 -16.1872
9 O5x O 30.2362 -18.2877
10 C1a C 33.2200 -13.0338
11 C1x C 29.0134 -14.7831
12 C8x C 34.9998 -15.4944
13 C8x C 35.6865 -16.6901
14 C8x C 35.0001 -17.8725
15 C8x C 33.6001 -17.8691
16 C1a C 27.8010 -14.0831
17 C8y C 26.5886 -14.7831
18 C8y C 26.5886 -16.1872
19 C1b C 27.8010 -16.8872
20 N5x N 25.2532 -14.3492
21 C8x C 24.4278 -15.4852
22 N4x N 25.2532 -16.6211
23 X Cl 38.2434 -16.3333
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 3 6 2
6 3 7 1
7 4 8 1
8 4 9 2
9 6 10 1
10 7 11 1
11 5 6 1
12 8 11 1
13 5 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 2 1
18 16 17 1
19 17 18 2
20 18 19 1
21 8 19 1 #Up
22 17 20 1
23 20 21 2
24 21 22 1
25 18 22 1
|
|---|
