| Entry |
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| Name |
Phenylbutazone (JP16/USP/INN);
Azolid (TN)
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| Formula |
C19H20N2O2
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| Exact mass |
308.1525
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| Mol weight |
308.3743
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| Structure |
     |
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| Activity |
Antirheumatic
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| Remark |
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| Comment |
Pyrazolon derivative
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| Target |
cyclooxygenase-1 (COX-1) inhibitor [HSA: 5742] [KO: K00509]; cyclooxygenase-2 (COX-2) inhibitor [HSA: 5743] [KO: K11987] |
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| Pathway |
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| Interaction |
CYP inhibition: CYP2C9 [HSA: 1559]
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| Structure map |
| 1,2-Diphenyl substitution family |
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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
M01AA Butylpyrazolidines
M01AA01 Phenylbutazone
D00510 Phenylbutazone (JP16/USP/INN)
M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AA Antiinflammatory preparations, non-steroids for topical use
M02AA01 Phenylbutazone
D00510 Phenylbutazone (JP16/USP/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases
cyclooxygenase-1 (COX-1) [HSA:5742] [KO:K00509]
Phenylbutazone [ATC:M01AA01 M02AA01]
D00510 Phenylbutazone (JP16/USP/INN)
cyclooxygenase-2 (COX-2) [HSA:5743] [KO:K11987]
Phenylbutazone [ATC:M01AA01 M02AA01]
D00510 Phenylbutazone (JP16/USP/INN)
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| Other DBs |
CAS: 50-33-9 PubChem: DrugBank: PDB-CCD: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 23
1 C1y C 18.0563 -13.2647
2 C1b C 19.4591 -13.2647
3 C5x C 17.2145 -12.1424
4 N1y N 15.9053 -12.5633
5 N1y N 15.9053 -13.9662
6 C5x C 17.2145 -14.3870
7 O5x O 17.6822 -15.6964
8 O5x O 17.6822 -10.8331
9 C8x C 12.2578 -10.4590
10 C8x C 12.2578 -11.8619
11 C8x C 13.4736 -12.5633
12 C8y C 14.6894 -11.8619
13 C8x C 14.6894 -10.4590
14 C8x C 13.4736 -9.7576
15 C8x C 12.2578 -14.6676
16 C8x C 12.2578 -16.0705
17 C8x C 13.4736 -16.7719
18 C8x C 14.6894 -16.0705
19 C8y C 14.6894 -14.6676
20 C8x C 13.4736 -13.9662
21 C1b C 20.1606 -12.0498
22 C1b C 21.5634 -12.0498
23 C1a C 22.2653 -10.8343
BOND 25
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 2
9 9 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 9 14 1
15 12 4 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 19 5 1
23 2 21 1
24 21 22 1
25 22 23 1
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