| Entry |
|
|---|
| Name |
Bavisant (USAN/INN) |
|---|
| Formula |
C19H27N3O2
|
|---|
| Exact mass |
329.2103
|
|---|
| Mol weight |
329.44
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Nootropic, H3 receptor antagonist |
|---|
| Comment |
Treatment of disorders of cognition and wakefulness
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH3
D09870 Bavisant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 O2x O 12.2500 -23.5900
2 C1x C 12.2500 -24.9900
3 C1x C 13.4400 -25.6900
4 N1y N 14.7000 -24.9900
5 C1x C 14.7000 -23.5900
6 C1x C 13.4400 -22.8900
7 C1b C 15.8900 -25.6900
8 C8y C 17.0800 -24.9900
9 C8x C 18.2700 -25.6900
10 C8x C 19.5300 -24.9900
11 C8y C 19.5300 -23.5900
12 C8x C 18.3400 -22.8900
13 C8x C 17.0800 -23.5900
14 C5a C 20.7200 -22.8900
15 N1y N 21.9100 -23.5900
16 C1x C 21.9100 -24.9900
17 C1x C 23.1700 -25.6900
18 N1y N 24.3600 -24.9900
19 C1x C 24.3600 -23.5900
20 C1x C 23.1700 -22.8900
21 C1y C 25.5500 -25.6900
22 C1x C 26.9500 -25.6900
23 C1x C 26.2500 -26.8800
24 O5a O 20.7200 -21.4900
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 21 23 1
27 14 24 2
|
|---|
