| Entry |
|
|---|
| Name |
Tilmacoxib (JAN/USAN/INN) |
|---|
| Formula |
C16H19FN2O3S
|
|---|
| Exact mass |
338.1100
|
|---|
| Mol weight |
338.40
|
|---|
| Structure |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
|
|---|
| Efficacy |
Anti-inflammatory, COX-2 inhibitor |
|---|
| Comment |
Coxibs
Treatment of osteoarthritis and rheumatoid arthritis
|
|---|
| 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
D01974 Tilmacoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D01974 Tilmacoxib (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8y C 28.3263 -18.5501
2 C1a C 29.7290 -18.5501
3 O2x O 27.4846 -17.4280
4 C8y C 26.1755 -17.8487
5 C8y C 26.1755 -19.2514
6 N5x N 27.4846 -19.6722
7 C8y C 22.5285 -15.7448
8 C8y C 22.5285 -17.1475
9 C8x C 23.7442 -17.8487
10 C8y C 24.9598 -17.1475
11 C8x C 24.9598 -15.7448
12 C8x C 23.7442 -15.0434
13 C1x C 22.5285 -19.9528
14 C1x C 22.5285 -21.3555
15 C1x C 23.7442 -22.0568
16 C1x C 24.9598 -21.3555
17 C1y C 24.9598 -19.9528
18 C1x C 23.7442 -19.2514
19 S4a S 21.3138 -15.0432
20 O3c O 22.0142 -13.8276
21 O3c O 20.6115 -16.2591
22 N1a N 20.0972 -14.3421
23 X F 21.3339 -17.8378
BOND 25
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 4 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 17 5 1
21 7 19 1
22 19 20 2
23 19 21 2
24 19 22 1
25 8 23 1
|
|---|
