| Entry |
|
|---|
| Name |
Encenicline hydrochloride (USAN) |
|---|
| Formula |
C16H17ClN2OS. HCl
|
|---|
| Exact mass |
356.0517
|
|---|
| Mol weight |
357.30
|
|---|
| 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
D10702 Encenicline hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C1x C 25.5500 -15.5400
2 C1y C 23.4500 -18.6200
3 C8x C 15.1200 -16.7300
4 C8x C 15.1200 -18.0600
5 C8x C 16.2400 -18.7600
6 C8y C 17.4300 -18.0600
7 C8y C 17.4300 -16.7300
8 C8y C 16.2400 -16.0300
9 X Cl 16.2400 -14.7700
10 C8x C 18.7600 -18.4800
11 C8y C 19.4600 -17.5000
12 C5a C 20.7900 -17.5000
13 N1b N 21.9100 -18.6200
14 O5a O 21.3500 -16.1700
15 S2x S 18.7600 -16.3100
16 C1x C 24.1500 -17.5000
17 N1y N 25.5500 -17.0100
18 C1y C 24.9900 -18.0600
19 C1x C 26.8800 -17.7100
20 C1x C 26.5300 -18.7600
21 C1x C 24.9900 -16.4500
22 X Cl 28.3500 -16.9400
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
|
|---|
