| Entry |
|
|---|
| Name |
Apricoxib (USAN/INN) |
|---|
| Formula |
C19H20N2O3S
|
|---|
| Exact mass |
356.1195
|
|---|
| Mol weight |
356.44
|
|---|
| 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 pain and inflammation, oncology
|
|---|
| 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
D08657 Apricoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D08657 Apricoxib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8y C 26.3200 -23.4500
2 C1a C 27.7200 -23.4500
3 C8x C 25.4800 -22.3300
4 N4y N 24.2200 -22.7500
5 C8y C 24.2200 -24.1500
6 C8x C 25.4800 -24.5700
7 C8y C 20.5800 -20.6500
8 C8x C 20.5800 -22.0500
9 C8x C 21.7700 -22.7500
10 C8y C 22.9600 -22.0500
11 C8x C 22.9600 -20.6500
12 C8x C 21.7700 -19.9500
13 C8x C 20.5800 -24.8500
14 C8y C 20.5800 -26.2500
15 C8x C 21.7700 -26.9500
16 C8x C 22.9600 -26.2500
17 C8y C 22.9600 -24.8500
18 C8x C 21.7700 -24.1500
19 O2a O 19.3200 -26.9500
20 S4a S 19.3200 -19.9500
21 O3c O 20.0200 -18.6900
22 O3c O 18.6200 -21.1400
23 N1a N 18.1300 -19.2500
24 C1b C 18.1193 -26.2301
25 C1a C 16.8954 -26.9100
BOND 27
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 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 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 17 5 1
21 14 19 1
22 7 20 1
23 20 21 2
24 20 22 2
25 20 23 1
26 19 24 1
27 24 25 1
|
|---|
