| Entry |
|
|---|
| Name |
Rofecoxib (JAN/USAN/INN);
Vioxx (TN)
|
|---|
| Formula |
C17H14O4S
|
|---|
| Exact mass |
314.0613
|
|---|
| Mol weight |
314.3557
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, COX-2 inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07112 | 1,2-Diphenyl substitution family |
|
|---|
| 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
M01AH02 Rofecoxib
D00568 Rofecoxib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D00568 Rofecoxib (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D00568
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D00568
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|---|
| Other DBs |
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|---|
| LinkDB |
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|---|
| KCF data |
ATOM 22
1 O7x O 29.8795 -19.6235
2 C1x C 29.0381 -18.5016
3 C2y C 27.7293 -18.9223
4 C2y C 27.7293 -20.3247
5 C7x C 29.0381 -20.7454
6 O6a O 29.5056 -22.0543
7 C8x C 24.0831 -21.0259
8 C8x C 24.0831 -22.4282
9 C8x C 25.2985 -23.1294
10 C8x C 26.5138 -22.4282
11 C8y C 26.5138 -21.0259
12 C8x C 25.2985 -20.3247
13 C8y C 24.0831 -16.8187
14 C8x C 24.0831 -18.2211
15 C8x C 25.2985 -18.9223
16 C8y C 26.5138 -18.2211
17 C8x C 26.5138 -16.8187
18 C8x C 25.2985 -16.1176
19 S4a S 22.8677 -16.1176
20 O3c O 23.5688 -14.9022
21 O3c O 22.1665 -17.3329
22 C1a C 21.6523 -15.4164
BOND 24
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 5 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 11 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 16 3 1
21 13 19 1
22 19 20 2
23 19 21 2
24 19 22 1
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|---|
