| Entry |
|
|---|
| Name |
Encenicline hydrochloride hydrate (JAN);
Encenicline hydrochloride monohydrate |
|---|
| Formula |
C16H17ClN2OS. HCl. H2O
|
|---|
| Exact mass |
374.0623
|
|---|
| Mol weight |
375.3132
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antipsychotic, Nootropic, Nicotinic acetylcholine receptor partial agonist |
|---|
| Comment |
Treatment of cognitive disorders
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRNA7
D10789 Encenicline hydrochloride hydrate (JAN)
|
|---|
| Other DBs |
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|---|
| LinkDB |
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|---|
| KCF data |
ATOM 23
1 C1x C 23.2460 -14.8907
2 C1y C 21.0689 -18.0511
3 C8x C 12.7107 -16.1547
4 C8x C 12.7107 -17.4892
5 C8x C 13.8345 -18.1915
6 C8y C 15.0285 -17.4892
7 C8y C 15.0285 -16.1547
8 C8y C 13.8345 -15.4523
9 X Cl 13.8345 -14.1881
10 C8x C 16.3630 -17.9106
11 C8y C 17.0654 -16.9273
12 C5a C 18.3999 -16.9273
13 N1b N 19.5237 -18.0511
14 O5a O 18.9618 -15.5928
15 S2x S 16.3630 -15.7333
16 C1x C 21.7713 -16.9273
17 N1y N 23.2460 -16.4356
18 C1y C 22.6141 -17.4892
19 C1x C 24.5105 -17.1380
20 C1x C 24.1593 -18.1915
21 C1x C 22.6141 -15.8737
22 X Cl 26.6700 -15.5400
23 O0 O 27.1600 -17.8500
BOND 24
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 3 8 1
7 8 9 1
8 6 10 1
9 11 12 1
10 12 13 1
11 12 14 2
12 10 11 2
13 11 15 1
14 7 15 1
15 2 13 1 #Up
16 2 16 1
17 16 17 1
18 2 18 1
19 17 19 1
20 18 20 1
21 19 20 1
22 1 17 1
23 18 21 1
24 1 21 1
|
|---|
