| Entry |
|
|---|
| Name |
Firocoxib (USAN/INN);
Equioxx (TN) [veterinary] |
|---|
| Formula |
C17H20O5S
|
|---|
| Exact mass |
336.1031
|
|---|
| Mol weight |
336.40
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, COX-2 inhibitor |
|---|
| Comment |
Cosibs
Treatment of pain inflammation and fever
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
D03712 Firocoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D03712 Firocoxib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8y C 29.1200 -18.2000
2 C8y C 26.6700 -16.8000
3 C8x C 26.6700 -18.2000
4 C8x C 27.8600 -18.9000
5 C8x C 29.1200 -16.8000
6 C8x C 27.8600 -16.1000
7 S4a S 25.4800 -16.1000
8 C1a C 24.2200 -15.4000
9 O3c O 26.1800 -14.9100
10 O3c O 24.7800 -17.2900
11 C2y C 30.3100 -18.9000
12 C2y C 30.3100 -20.3000
13 C7x C 31.6400 -20.7200
14 O7x O 32.4800 -19.6000
15 C1z C 31.6400 -18.4800
16 O2a O 29.1808 -21.1276
17 C1b C 27.9118 -20.5689
18 C1y C 26.7894 -21.3918
19 C1a C 32.8524 -17.7800
20 C1a C 30.9400 -17.2676
21 O6a O 32.0680 -22.0530
22 C1x C 25.4371 -21.7541
23 C1x C 26.4270 -22.7441
BOND 25
1 2 3 2
2 3 4 1
3 4 1 2
4 1 5 1
5 5 6 2
6 2 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 7 10 2
11 1 11 1
12 11 12 2
13 12 13 1
14 13 14 1
15 14 15 1
16 11 15 1
17 12 16 1
18 16 17 1
19 17 18 1
20 15 19 1
21 15 20 1
22 13 21 2
23 18 22 1
24 18 23 1
25 22 23 1
|
|---|
