| Entry |
|
|---|
| Name |
Bradanicline (USAN/INN) |
|---|
| Formula |
C22H23N3O2
|
|---|
| Exact mass |
361.1790
|
|---|
| Mol weight |
361.44
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Dementia therapeutic agent, Nicotinic acetylcholine receptor agonist |
|---|
| Comment |
Cognitive and memory enhancement
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRNA7
D10613 Bradanicline (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 15.1159 -18.6257
2 C8y C 15.8031 -19.8627
3 C8x C 13.6727 -18.6257
4 C8x C 12.9855 -19.8627
5 C8x C 13.6727 -21.0996
6 C8x C 15.1159 -21.0996
7 C8x C 17.1775 -19.5878
8 C8y C 17.3836 -18.1447
9 O2x O 16.0780 -17.5262
10 C5a C 18.5519 -17.3888
11 O5a O 18.5519 -16.0144
12 N1b N 19.7888 -18.1447
13 C1x C 22.5365 -15.7395
14 C1y C 21.6444 -16.3580
15 C1y C 20.9571 -17.4575
16 N1y N 23.1601 -16.0844
17 C1x C 24.1870 -16.7016
18 C1y C 22.5365 -16.9777
19 C1x C 23.7034 -17.5936
20 C1x C 23.1601 -14.4338
21 C1b C 20.4541 -15.4646
22 C8y C 20.4541 -14.0902
23 C8x C 21.6608 -13.3934
24 N5x N 21.6607 -12.0190
25 C8x C 20.4702 -11.3319
26 C8x C 19.2635 -12.0287
27 C8x C 19.2637 -13.4031
BOND 31
1 1 2 1
2 1 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 2
7 2 7 1
8 7 8 2
9 8 9 1
10 1 9 1
11 8 10 1
12 10 11 2
13 10 12 1
14 14 15 1
15 14 16 1
16 16 17 1
17 15 18 1
18 17 19 1
19 18 19 1
20 13 18 1
21 16 20 1
22 20 13 1
23 15 12 1 #Up
24 14 21 1 #Down
25 21 22 1
26 22 23 2
27 23 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 22 27 1
|
|---|
