| Entry |
|
|---|
| Name |
Cerlapirdine (USAN) |
|---|
| Formula |
C22H23N3O3S
|
|---|
| Exact mass |
409.1460
|
|---|
| Mol weight |
409.50
|
|---|
| 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
D10099 Cerlapirdine (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 16.7300 -17.6400
2 C8y C 16.7300 -19.0400
3 C8x C 17.9424 -19.7400
4 C8y C 19.1549 -19.0400
5 C8y C 19.1549 -17.6400
6 C8x C 17.9424 -16.9400
7 C8y C 20.4864 -19.4726
8 N5x N 21.3093 -18.3400
9 N4x N 20.4864 -17.2074
10 O2a O 15.5176 -19.7400
11 C1b C 14.3221 -19.0496
12 C1b C 13.1347 -19.7351
13 C1b C 11.9435 -19.0471
14 N1c N 10.7540 -19.7338
15 C1a C 9.5639 -19.0465
16 C1a C 10.7538 -21.1398
17 S4a S 20.9175 -20.7994
18 C8y C 22.3175 -20.7994
19 C8y C 23.0166 -22.0101
20 C8y C 24.4166 -22.0101
21 C8x C 25.1166 -20.7976
22 C8x C 24.4175 -19.5869
23 C8x C 23.0175 -19.5869
24 C8x C 22.3166 -23.2225
25 C8x C 23.0166 -24.4350
26 C8x C 24.4166 -24.4349
27 C8x C 25.1166 -23.2225
28 O3c O 19.5175 -20.7994
29 O3c O 21.2799 -22.1517
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
|
|---|
