| Entry |
|
|---|
| Name |
Grapiprant (USAN/INN) |
|---|
| Formula |
C26H29N5O3S
|
|---|
| Exact mass |
491.1991
|
|---|
| Mol weight |
491.61
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Antirheumatic, Prostaglandin receptor antagonist |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGER4
D10638 Grapiprant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C5a C 16.5900 -18.2700
2 N1b N 15.4000 -18.9000
3 S4a S 14.2100 -18.2000
4 C8y C 13.0200 -18.9000
5 C8x C 11.8300 -18.2000
6 C8x C 10.5700 -18.9000
7 C8y C 10.5700 -20.3700
8 C8x C 11.7600 -21.0000
9 C8x C 13.0200 -20.3000
10 O3c O 15.1900 -17.2200
11 O3c O 13.1600 -17.2200
12 C1a C 9.3800 -21.0700
13 O5a O 16.5900 -16.8700
14 N1b N 17.7800 -18.9700
15 C1b C 19.0400 -18.2700
16 C1b C 20.2300 -18.9700
17 C8y C 21.4200 -18.2700
18 C8x C 22.6419 -18.9533
19 C8x C 23.8679 -18.1953
20 C8y C 23.8377 -16.8150
21 C8x C 22.6158 -16.1317
22 C8x C 21.4240 -16.8286
23 N4y N 25.0295 -16.1180
24 C8y C 26.2587 -16.6450
25 C8y C 27.1864 -15.5598
26 N5x N 26.5505 -14.4022
27 C8y C 25.1899 -14.6839
28 C8x C 26.7309 -17.9517
29 C8y C 28.0967 -18.2343
30 N5x N 29.0245 -17.1491
31 C8y C 28.5522 -15.8424
32 C1b C 24.1730 -13.6340
33 C1a C 24.6534 -12.0580
34 C1a C 28.4737 -19.5680
35 C1a C 29.5068 -14.8524
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 4 9 1
10 3 10 2
11 3 11 2
12 7 12 1
13 1 13 2
14 1 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 20 23 1
24 23 24 1
25 24 25 2
26 25 26 1
27 26 27 2
28 23 27 1
29 24 28 1
30 28 29 2
31 29 30 1
32 30 31 2
33 25 31 1
34 27 32 1
35 32 33 1
36 29 34 1
37 31 35 1
38 17 22 2
|
|---|
