| Entry |
|
|---|
| Name |
Telenzepine hydrochloride hydrate (JAN) |
|---|
| Formula |
C19H22N4O2S. 2HCl. 2H2O
|
|---|
| Exact mass |
478.1208
|
|---|
| Mol weight |
479.42
|
|---|
| Structure |
|
|---|
| Efficacy |
Antisecretory (gastric acid), Anti-ulcerative, Muscarinic acetylcholine receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM1
D11098 Telenzepine hydrochloride hydrate (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 15.3300 -20.9300
2 C8y C 14.4900 -19.8100
3 C8y C 14.8400 -18.4800
4 N4y N 16.1000 -17.9200
5 N4x N 16.7300 -20.9300
6 C8y C 17.3600 -18.5500
7 C8y C 17.6400 -19.8800
8 C8x C 18.9700 -20.3000
9 C8x C 20.0200 -19.3900
10 C8x C 19.7400 -17.9900
11 C8x C 18.4100 -17.5700
12 O5x O 14.7000 -22.1900
13 C5a C 16.1000 -16.5200
14 C1b C 17.2900 -15.8200
15 O5a O 14.9100 -15.8200
16 N1y N 17.2900 -14.4200
17 C1x C 18.5500 -13.7200
18 C1x C 18.5500 -12.3200
19 N1y N 17.2900 -11.6200
20 C1x C 16.1000 -12.3200
21 C1x C 16.1000 -13.7200
22 C1a C 17.2900 -10.2200
23 C8y C 13.7900 -17.7800
24 S2x S 12.6700 -18.4800
25 C8x C 13.0200 -19.8100
26 C1a C 13.7900 -16.3800
27 X Cl 22.8200 -16.0300
28 O0 O 23.2400 -18.6900
29 X Cl 22.8200 -16.0300
30 O0 O 23.2400 -18.6900
BOND 29
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 6 11 2
13 1 12 2
14 4 13 1
15 13 14 1
16 13 15 2
17 14 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 19 22 1
25 3 23 2
26 23 24 1
27 24 25 1
28 2 25 2
29 23 26 1
BRACKET 1 21.0700 -16.9400 21.0700 -14.9800
1 23.9400 -14.9800 23.9400 -16.9400
1 2
ORIGINAL 1 27
REPEAT 1 29
2 21.0700 -19.9500 21.0700 -17.6400
2 23.8000 -17.6400 23.8000 -19.9500
2 2
ORIGINAL 2 28
REPEAT 2 30
|
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