| Entry |
|
|---|
| Name |
Fenbufen (JP18/USAN/INN) |
|---|
| Formula |
C16H14O3
|
|---|
| Exact mass |
254.0943
|
|---|
| Mol weight |
254.2806
|
|---|
| Structure |
|
|---|
| Simcomp |
|
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| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01898 Anti-inflammatory drug, phenylacetic acid derivatives
DG01908 Anti-inflammatory drug, propionic acid derivatives
|
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| Remark |
|
|---|
| Efficacy |
Anti-inflammatory, COX inhibitor |
|---|
| Comment |
Propionic acid derivative
|
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| Target |
|
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| Pathway |
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE Propionic acid derivatives
M01AE05 Fenbufen
D01344 Fenbufen (JP18/USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01898 Anti-inflammatory drug, phenylacetic acid derivatives
D01344 Fenbufen
DG01908 Anti-inflammatory drug, propionic acid derivatives
D01344 Fenbufen
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D01344 Fenbufen (JP18/USAN/INN)
PTGS2 (COX2)
D01344 Fenbufen (JP18/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01344 Fenbufen
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| Other DBs |
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| KCF data |
ATOM 19
1 C8x C 25.2762 -16.6847
2 C8x C 25.2762 -18.0849
3 C8x C 26.4918 -18.7850
4 C8x C 27.7003 -18.0849
5 C8y C 27.7003 -16.6847
6 C8x C 26.4918 -15.9845
7 C8y C 28.9135 -15.9856
8 C8x C 30.1234 -16.6882
9 C8x C 31.3366 -15.9889
10 C8y C 31.3377 -14.5887
11 C8x C 30.1255 -13.8877
12 C8x C 28.9124 -14.5868
13 C5a C 32.5508 -13.8894
14 C1b C 33.7628 -14.5906
15 O5a O 32.5518 -12.4892
16 C1b C 34.9760 -13.8913
17 C6a C 36.1881 -14.5923
18 O6a O 37.4014 -13.8932
19 O6a O 36.1871 -15.9925
BOND 20
1 5 6 2
2 7 8 2
3 8 9 1
4 9 10 2
5 10 11 1
6 11 12 2
7 12 7 1
8 6 1 1
9 10 13 1
10 13 14 1
11 5 7 1
12 13 15 2
13 1 2 2
14 14 16 1
15 2 3 1
16 16 17 1
17 3 4 2
18 17 18 1
19 4 5 1
20 17 19 2
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