| Entry |
|
|---|
| Name |
Deracoxib (USAN) |
|---|
| Formula |
C17H14F3N3O3S
|
|---|
| Exact mass |
397.0708
|
|---|
| Mol weight |
397.3716
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, COX-2 inhibitor |
|---|
| Comment |
Coxibs
Veterinary (For oral use in dogs only)
|
|---|
| 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
D03689 Deracoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D03689 Deracoxib (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 N4y N 25.6200 -17.5000
2 C8y C 25.6200 -18.9000
3 C8x C 26.9500 -19.3200
4 C8y C 27.7900 -18.2000
5 N5x N 26.9500 -17.0800
6 C1c C 29.1900 -18.2000
7 X F 29.8900 -19.3900
8 X F 29.8900 -17.0100
9 C8y C 24.5000 -19.7400
10 C8y C 24.5000 -16.6600
11 C8y C 22.0500 -15.2600
12 C8x C 22.0500 -16.6600
13 C8x C 23.2400 -17.3600
14 C8x C 24.5000 -15.2600
15 C8x C 23.2400 -14.5600
16 C8x C 22.0500 -19.7400
17 C8y C 22.0500 -21.1400
18 C8y C 23.2400 -21.8400
19 C8x C 24.5000 -21.1400
20 C8x C 23.2400 -19.0400
21 S4a S 20.8347 -14.5649
22 N1a N 19.6223 -13.8649
23 O3c O 21.5347 -13.3525
24 O3c O 20.1347 -15.7774
25 X F 23.2228 -23.2399
26 O2a O 20.8347 -21.8351
27 C1a C 19.6463 -21.1423
BOND 29
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 1
8 6 8 1
9 2 9 1
10 1 10 1
11 11 12 2
12 12 13 1
13 13 10 2
14 10 14 1
15 14 15 2
16 11 15 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 9 1
21 9 20 2
22 16 20 1
23 11 21 1
24 21 22 1
25 21 23 2
26 21 24 2
27 18 25 1
28 17 26 1
29 26 27 1
|
|---|
