| Entry |
|
|---|
| Name |
Atopaxar (USAN) |
|---|
| Formula |
C29H38FN3O5
|
|---|
| Exact mass |
527.2795
|
|---|
| Mol weight |
527.63
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Platelet aggregation inhibitor, Coagulation factor II receptor (PAR1) antagonist |
|---|
| Comment |
Treatment of cardiovascular disorders
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Thrombin
F2R (PAR1)
D09866 Atopaxar (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8y C 11.1300 -21.3500
2 C8y C 11.1300 -22.7500
3 C8x C 12.3424 -23.4500
4 C8y C 13.5549 -22.7500
5 C8y C 13.5549 -21.3500
6 C8y C 12.3424 -20.6500
7 C1x C 14.8864 -23.1826
8 N1y N 15.7093 -22.0500
9 C2y C 14.8864 -20.9174
10 C1b C 17.0800 -22.0500
11 X F 12.3424 -19.2502
12 O2a O 9.9176 -20.6500
13 C1b C 8.7221 -21.3404
14 C1a C 7.5347 -20.6549
15 O2a O 9.9176 -23.4500
16 C1b C 8.7221 -22.7596
17 C1a C 7.5347 -23.4451
18 N2a N 15.3175 -19.5906
19 C5a C 17.7800 -23.2624
20 C8y C 19.1800 -23.2624
21 O5a O 17.0896 -24.4579
22 C8x C 19.8704 -24.4579
23 C8y C 21.2704 -24.4578
24 C8y C 21.9703 -23.2453
25 C8y C 21.2799 -22.0498
26 C8x C 19.8799 -22.0499
27 N1y N 21.9611 -25.6532
28 C1x C 21.2806 -26.8328
29 C1x C 21.9810 -28.0450
30 O2x O 23.3810 -28.0445
31 C1x C 24.0615 -26.8649
32 C1x C 23.3611 -25.6527
33 C1d C 21.9797 -20.8374
34 O2a O 23.3800 -23.2451
35 C1a C 24.0779 -24.4537
36 C1a C 23.3798 -20.8372
37 C1a C 21.2893 -19.6422
38 C1a C 22.6797 -19.6249
BOND 41
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 1
12 6 11 1
13 1 12 1
14 12 13 1
15 13 14 1
16 2 15 1
17 15 16 1
18 16 17 1
19 9 18 2
20 10 19 1
21 19 20 1
22 19 21 2
23 20 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 20 26 2
29 23 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 27 32 1
36 25 33 1
37 24 34 1
38 34 35 1
39 33 36 1
40 33 37 1
41 33 38 1
|
|---|
