| Entry |
|
|---|
| Name |
Alminoprofen (JP16/INN);
Minalfen (TN)
|
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| Formula |
C13H17NO2
|
|---|
| Exact mass |
219.1259
|
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| Mol weight |
219.2796
|
|---|
| Structure |
     |
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| Remark |
|
|---|
| Target |
cyclooxygenase-1 (COX-1) inhibitor [HSA: 5742] [KO: K00509]; cyclooxygenase-2 (COX-2) inhibitor [HSA: 5743] [KO: K11987] |
|---|
| 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
M01AE16 Alminoprofen
D01513 Alminoprofen (JP16/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases
cyclooxygenase-1 (COX-1) [HSA:5742] [KO:K00509]
Alminoprofen [ATC:M01AE16]
D01513 Alminoprofen (JP16/INN)
cyclooxygenase-2 (COX-2) [HSA:5743] [KO:K11987]
Alminoprofen [ATC:M01AE16]
D01513 Alminoprofen (JP16/INN)
 |
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| Other DBs |
CAS: 39718-89-3 PubChem: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 16
1 C8y C 28.3500 -25.4800
2 C8x C 28.3500 -24.0800
3 C8x C 29.6100 -23.3800
4 C8y C 30.8000 -24.0800
5 C8x C 30.8000 -25.4800
6 C8x C 29.6100 -26.1800
7 N1b N 27.1600 -26.1800
8 C1b C 25.9700 -25.4800
9 C2c C 24.7100 -26.1800
10 C1a C 23.5200 -25.4800
11 C2a C 24.7100 -27.5800
12 C1c C 31.9900 -23.3800
13 C1a C 31.9900 -21.9800
14 C6a C 33.2500 -24.0800
15 O6a O 34.4400 -23.3800
16 O6a O 33.2500 -25.4800
BOND 16
1 7 8 1
2 2 3 1
3 8 9 1
4 3 4 2
5 9 10 1
6 4 5 1
7 9 11 2
8 5 6 2
9 4 12 1
10 6 1 1
11 12 13 1
12 12 14 1
13 1 7 1
14 14 15 1
15 1 2 2
16 14 16 2
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