| Entry |
|
|---|
| Name |
Cerlapirdine hydrochloride (USAN) |
|---|
| Formula |
C22H23N3O3S. HCl
|
|---|
| Exact mass |
445.1227
|
|---|
| Mol weight |
445.96
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Dementia therapeutic agent, Serotonin 5-HT6 receptor antagonist |
|---|
| Comment |
Treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR6
D10100 Cerlapirdine hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8x C 23.9400 -18.1300
2 C8y C 23.9400 -19.5300
3 C8x C 25.1300 -20.2300
4 C8y C 26.3200 -19.5300
5 C8y C 26.3200 -18.1300
6 C8x C 25.1300 -17.4300
7 C8y C 27.6500 -19.9500
8 N5x N 28.4900 -18.8300
9 N4x N 27.6500 -17.7100
10 O2a O 22.6800 -20.2300
11 C1b C 21.4900 -19.5300
12 C1b C 20.3000 -20.2300
13 C1b C 19.1100 -19.5300
14 N1c N 17.9200 -20.2300
15 C1a C 16.7300 -19.5300
16 C1a C 17.9200 -21.6300
17 S4a S 28.1400 -21.2800
18 C8y C 29.5400 -21.2800
19 C8y C 30.2400 -22.4700
20 C8y C 31.6400 -22.4700
21 C8x C 32.3400 -21.2800
22 C8x C 31.6400 -20.0900
23 C8x C 30.2400 -20.0900
24 C8x C 29.5400 -23.7300
25 C8x C 30.2400 -24.9200
26 C8x C 31.6400 -24.9200
27 C8x C 32.3400 -23.7300
28 O3c O 26.7400 -21.2800
29 O3c O 28.4900 -22.6100
30 X Cl 31.5700 -18.0600
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 2 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 14 16 1
18 7 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 19 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 20 27 1
31 17 28 2
32 17 29 2
|
|---|
