| Entry |
|
|---|
| Name |
Vorbipiprant (USAN/INN) |
|---|
| Formula |
C26H27F3N2O3
|
|---|
| Exact mass |
472.1974
|
|---|
| Mol weight |
472.50
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory, Antirheumatic, Prostaglandin receptor antagonist |
|---|
| Comment |
Immunomodulator for tumors and autoimmune diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGER4
D12971 Vorbipiprant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C1z C 18.2000 -14.7700
2 N1b N 17.0100 -14.0700
3 C8y C 19.3900 -14.0700
4 C5a C 15.8200 -14.7700
5 C1y C 14.6300 -14.0700
6 O5a O 15.8200 -16.1700
7 C1x C 18.9000 -15.9600
8 C1x C 17.5000 -15.9600
9 C8x C 21.8400 -14.0700
10 C8y C 21.8400 -12.6700
11 C8x C 20.6500 -11.9700
12 C8x C 19.3900 -12.6700
13 C8x C 20.6500 -14.7700
14 C6a C 23.0300 -11.9700
15 O6a O 24.2200 -12.6700
16 O6a O 23.0300 -10.5700
17 C1x C 14.6300 -12.6700
18 C1z C 13.4400 -11.9700
19 C1x C 12.1800 -12.6700
20 C1x C 12.1800 -14.0700
21 N1y N 13.4400 -14.7700
22 C1b C 13.4400 -16.1700
23 C8y C 12.2500 -16.8700
24 C8x C 10.9900 -16.2400
25 C8x C 9.8000 -16.9400
26 C8y C 9.8000 -18.3400
27 C8x C 11.0600 -19.0400
28 C8x C 12.2500 -18.2700
29 C1d C 8.6100 -19.0400
30 X F 7.3500 -19.7400
31 X F 9.3100 -20.3000
32 X F 7.9100 -17.8500
33 C1x C 14.1400 -10.7800
34 C1x C 12.7400 -10.7800
BOND 38
1 1 2 1
2 1 3 1
3 2 4 1
4 5 4 1 #Down
5 4 6 2
6 7 8 1
7 8 1 1
8 1 7 1
9 9 10 2
10 10 11 1
11 11 12 2
12 12 3 1
13 3 13 2
14 9 13 1
15 10 14 1
16 14 15 1
17 14 16 2
18 5 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 5 21 1
24 21 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 26 29 1
33 29 30 1
34 29 31 1
35 29 32 1
36 33 34 1
37 34 18 1
38 18 33 1
|
|---|
