| Entry |
|
|---|
| Name |
Preladenant (USAN/INN) |
|---|
| Formula |
C25H29N9O3
|
|---|
| Exact mass |
503.2393
|
|---|
| Mol weight |
503.5563
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiparkinsonian, Adenosine A2A receptor antagonist |
|---|
| Comment |
Treatment of Parkinson's disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adenosine
ADORA2A
D09717 Preladenant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C1x C 41.0900 -27.3000
2 N1y N 41.0900 -28.7000
3 C1x C 42.2800 -29.4000
4 C1x C 43.5400 -28.7000
5 N1y N 43.5400 -27.3000
6 C1x C 42.2800 -26.6000
7 C8y C 44.7300 -26.6000
8 C8x C 45.9200 -27.3000
9 C8x C 47.1800 -26.6000
10 C8y C 47.1800 -25.2000
11 C8x C 45.9900 -24.5000
12 C8x C 44.7300 -25.2000
13 O2a O 48.3700 -24.5000
14 C1b C 49.5600 -25.2000
15 C1b C 50.7500 -24.5000
16 O2a O 51.9400 -25.2000
17 C1a C 53.1300 -24.5000
18 C1b C 39.9000 -29.4000
19 C1b C 38.7100 -28.7000
20 N4y N 37.5200 -29.4000
21 C8y C 34.0200 -30.3100
22 C8y C 35.4200 -30.3100
23 C8y C 36.1200 -29.1200
24 N5x N 35.4200 -27.8600
25 C8y C 34.0200 -27.8600
26 N4y N 33.3200 -29.1200
27 C8x C 36.3300 -31.3600
28 N5x N 37.6600 -30.8000
29 N5x N 31.9200 -29.4000
30 C8y C 31.7800 -30.8000
31 N5x N 33.1100 -31.3600
32 C8y C 30.5900 -31.5000
33 O2x O 29.3300 -30.9400
34 C8x C 28.3500 -31.9900
35 C8x C 29.0500 -33.1800
36 C8x C 30.4500 -32.9000
37 N1a N 33.3100 -26.6534
BOND 42
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 7 12 2
14 10 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 2 18 1
20 18 19 1
21 19 20 1
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 25 26 1
27 21 26 1
28 22 27 1
29 27 28 2
30 28 20 1
31 23 20 1
32 26 29 1
33 29 30 2
34 30 31 1
35 21 31 2
36 30 32 1
37 32 33 1
38 33 34 1
39 34 35 2
40 35 36 1
41 32 36 2
42 25 37 1
|
|---|
