| Entry |
|
|---|
| Name |
Vipadenant (USAN/INN) |
|---|
| Formula |
C16H15N7O
|
|---|
| Exact mass |
321.1338
|
|---|
| Mol weight |
321.3366
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiparkinsonian, Adenosine A2A receptor antagonist |
|---|
| Comment |
Treatment of Parkinson's disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA2A
D09991 Vipadenant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8x C 11.6900 -23.5200
2 C8x C 11.6900 -24.9200
3 O2x O 13.0200 -25.3400
4 C8y C 13.8600 -24.2200
5 C8x C 13.0200 -23.1000
6 C8y C 15.2600 -24.2200
7 N5x N 15.9600 -25.4100
8 C8y C 17.3600 -25.4100
9 N5x N 18.0600 -24.2200
10 C8y C 17.3600 -23.0300
11 C8y C 15.9600 -23.0300
12 N4y N 17.7800 -21.7000
13 N5x N 16.6600 -20.8600
14 N5x N 15.5400 -21.7000
15 N1a N 18.0600 -26.6000
16 C1b C 18.9700 -21.0000
17 C8y C 20.1600 -21.7000
18 C8x C 20.1600 -23.1000
19 C8x C 21.4200 -23.8000
20 C8y C 22.6100 -23.1000
21 C8y C 22.6100 -21.7000
22 C8x C 21.4200 -21.0000
23 C1a C 23.8253 -21.0049
24 N1a N 23.8253 -23.7951
BOND 27
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 6 11 1
13 10 12 1
14 12 13 1
15 13 14 2
16 11 14 1
17 8 15 1
18 16 17 1
19 16 12 1
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 17 22 2
26 21 23 1
27 20 24 1
|
|---|
