Entry |
|
Name |
Mavacoxib (USAN) |
Formula |
C16H11F4N3O2S
|
Exact mass |
385.0508
|
Mol weight |
385.3361
|
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
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
D04863 Mavacoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D04863 Mavacoxib (USAN)
|
Other DBs |
|
KCF data |
ATOM 26
1 C8y C 28.4441 -19.6634
2 C1d C 29.8457 -19.6634
3 N5x N 27.6031 -18.5422
4 N4y N 26.2950 -18.9626
5 C8y C 26.2950 -20.3642
6 C8x C 27.6031 -20.7847
7 X F 29.8457 -21.0650
8 X F 31.2472 -19.6634
9 X F 29.8457 -18.2619
10 C8y C 22.6509 -16.8603
11 C8x C 22.6509 -18.2619
12 C8x C 23.8656 -18.9626
13 C8y C 25.0803 -18.2619
14 C8x C 25.0803 -16.8603
15 C8x C 23.8656 -16.1595
16 C8x C 22.6509 -21.0650
17 C8y C 22.6509 -22.4666
18 C8x C 23.8656 -23.1674
19 C8x C 25.0803 -22.4666
20 C8y C 25.0803 -21.0650
21 C8x C 23.8656 -20.3642
22 X F 21.4372 -23.1676
23 S4a S 21.4372 -16.1593
24 O3c O 22.1370 -14.9447
25 O3c O 20.7354 -17.3742
26 N1a N 20.2215 -15.4587
BOND 28
1 1 2 1
2 1 3 2
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 2 8 1
9 2 9 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 13 4 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 20 5 1
24 17 22 1
25 10 23 1
26 23 24 2
27 23 25 2
28 23 26 1
|