| Entry |
|
|---|
| Name |
Donetidine (USAN) |
|---|
| Formula |
C20H25N5O3S
|
|---|
| Exact mass |
415.1678
|
|---|
| Mol weight |
415.51
|
|---|
| Structure |
|
|---|
| Class |
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01481 Histamine receptor H2 antagonist
|
|---|
| Efficacy |
Anti-ulcerative, H2 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01481 Histamine receptor H2 antagonist
D03889 Donetidine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH2
D03889 Donetidine (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 15.2600 -21.4900
2 C8x C 13.8600 -21.4900
3 C8y C 13.4400 -22.8200
4 O2x O 14.5600 -23.6600
5 C8y C 15.6800 -22.8200
6 C1b C 12.2500 -23.5200
7 N1c N 10.9900 -22.8200
8 C1a C 9.8000 -23.5200
9 C1a C 10.9900 -21.4200
10 C1b C 16.8924 -23.5200
11 S2a S 18.1049 -22.8200
12 C1b C 19.3173 -23.5200
13 C1b C 20.5297 -22.8200
14 N1b N 21.7422 -23.5200
15 C8y C 22.9546 -22.8200
16 N4x N 24.1711 -23.5223
17 C8x C 25.3835 -22.8223
18 C8y C 25.3835 -21.4223
19 C8y C 24.1671 -20.7200
20 N5x N 22.9546 -21.4200
21 O5x O 24.1671 -19.3201
22 C1b C 26.6167 -20.7102
23 C8y C 27.8208 -21.4053
24 C8x C 27.8212 -22.8197
25 C8y C 29.0338 -23.5193
26 N4x N 30.2461 -22.8190
27 C8x C 30.2457 -21.4046
28 C8x C 29.0331 -20.7049
29 O5x O 29.0342 -24.9199
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 3 6 1
7 6 7 1
8 7 8 1
9 7 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 1
21 15 20 2
22 19 21 2
23 18 22 1
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 2
30 23 28 1
31 25 29 2
|
|---|
