| Entry |
|
|---|
| Name |
Setipiprant (USAN/INN) |
|---|
| Formula |
C24H19FN2O3
|
|---|
| Exact mass |
402.1380
|
|---|
| Mol weight |
402.42
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiasthmatic, Anti-inflammatory, Prostaglandin D2 receptor antagonist |
|---|
| Comment |
Treatment of asthma, allergic rhinitis, atopic dermatitis
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGDR
D10326 Setipiprant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 14.9800 -19.9500
2 C8x C 14.9800 -21.3500
3 C8x C 16.1700 -22.0500
4 C8y C 17.4300 -21.3500
5 C8y C 17.4300 -19.9500
6 C8x C 16.1700 -19.2500
7 N4y N 18.7600 -21.7700
8 C8y C 19.5300 -20.6500
9 C8y C 18.7600 -19.5300
10 X F 13.7900 -19.2500
11 C1b C 18.7600 -23.1700
12 C6a C 19.9500 -23.8700
13 O6a O 21.1400 -23.1700
14 O6a O 19.9500 -25.2700
15 C1x C 20.9300 -20.5100
16 C1x C 21.5600 -19.2500
17 N1y N 20.7900 -18.1300
18 C1x C 19.3900 -18.2700
19 C5a C 21.9800 -17.4300
20 C8y C 23.1700 -18.1300
21 C8x C 23.1700 -19.5300
22 C8x C 24.4300 -20.2300
23 C8x C 25.6200 -19.5300
24 C8y C 25.6200 -18.1300
25 C8y C 24.4300 -17.4300
26 C8x C 26.8100 -17.4300
27 C8x C 26.8100 -16.0300
28 C8x C 25.6200 -15.3300
29 C8x C 24.4300 -16.0300
30 O5a O 21.9800 -16.0300
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 1 10 1
12 11 12 1
13 12 13 1
14 11 7 1
15 12 14 2
16 8 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 9 18 1
21 19 20 1
22 19 17 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 24 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 25 29 1
34 19 30 2
|
|---|
