| Entry |
|
|---|
| Name |
Parecoxib (USAN/INN) |
|---|
| Formula |
C19H18N2O4S
|
|---|
| Exact mass |
370.0987
|
|---|
| Mol weight |
370.42
|
|---|
| 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, COX-2 inhibitor |
|---|
| Comment |
Active form of prodrug: Valdecoxib [DR: D02709]
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AH Coxibs
M01AH04 Parecoxib
D03716 Parecoxib (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
DG00759 Parecoxib
D03716 Parecoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D03716 Parecoxib (USAN/INN)
Prodrugs [br08324.html]
D03716
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
DG00759 Parecoxib
Prodrugs [br08324.html]
DG00759
|
|---|
| Other DBs |
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| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C8y C 36.2600 -19.7400
2 C8y C 36.2600 -21.1400
3 N5x N 37.5900 -21.5600
4 O2x O 38.4300 -20.4400
5 C8y C 37.5900 -19.3200
6 C8y C 35.1400 -18.9000
7 C8y C 32.6900 -17.5000
8 C8x C 32.6900 -18.9000
9 C8x C 33.8800 -19.6000
10 C8x C 35.1400 -17.5000
11 C8x C 33.8800 -16.8000
12 S4a S 31.5000 -16.8000
13 N1b N 30.2400 -16.1000
14 O3c O 32.2000 -15.6100
15 O3c O 30.8000 -17.9900
16 C5a C 29.0500 -16.8000
17 C1b C 27.8600 -16.1000
18 C1a C 26.6700 -16.8000
19 O5a O 29.0500 -18.2000
20 C8y C 35.1400 -21.9800
21 C8x C 32.6900 -21.9800
22 C8x C 32.6900 -23.3800
23 C8x C 33.8800 -24.0800
24 C8x C 35.1400 -23.3800
25 C8x C 33.8800 -21.2800
26 C1a C 38.0180 -17.9870
BOND 28
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 1 6 1
7 7 8 2
8 8 9 1
9 9 6 2
10 6 10 1
11 10 11 2
12 7 11 1
13 7 12 1
14 12 13 1
15 12 14 2
16 12 15 2
17 13 16 1
18 16 17 1
19 17 18 1
20 16 19 2
21 2 20 1
22 21 22 2
23 22 23 1
24 23 24 2
25 24 20 1
26 20 25 2
27 21 25 1
28 5 26 1
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|---|
