| Entry |
|
|---|
| Name |
Pibutidine hydrochloride (JAN);
IT 066 |
|---|
| Formula |
C19H24N4O3. HCl
|
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| Exact mass |
392.1615
|
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| Mol weight |
392.88
|
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| Structure |
|
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| 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
D01861 Pibutidine hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH2
D01861 Pibutidine hydrochloride (JAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 27
1 X Cl 34.4382 -22.4431
2 C1x C 13.1812 -22.0221
3 C1x C 13.1812 -23.4252
4 C1x C 14.3739 -24.1268
5 N1y N 15.6367 -23.4252
6 C1x C 15.6367 -22.0221
7 C1x C 14.3739 -21.3206
8 C1b C 16.8293 -24.1268
9 C8y C 18.0219 -23.4252
10 C8x C 19.2146 -24.1268
11 C8y C 20.4773 -23.4252
12 N5x N 20.4773 -22.0221
13 C8x C 19.2847 -21.3206
14 C8x C 18.0219 -22.0221
15 O2a O 21.6700 -24.1268
16 C1b C 22.8626 -23.4252
17 C2b C 24.0552 -24.1268
18 C2b C 25.4583 -24.1268
19 C1b C 26.6510 -23.4252
20 N1b N 27.8436 -24.1268
21 C2y C 29.0362 -23.4252
22 C5x C 29.0362 -22.0221
23 C2y C 30.4393 -23.4252
24 C5x C 30.4393 -22.0221
25 N1a N 31.6320 -24.1268
26 O5x O 28.0442 -21.0301
27 O5x O 31.4314 -21.0301
BOND 28
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 5 8 1
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 9 14 1
15 11 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 19 20 1
20 19 18 1
21 20 21 1
22 22 21 1
23 21 23 2
24 23 24 1
25 22 24 1
26 23 25 1
27 22 26 2
28 24 27 2
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