| Entry |
|
|---|
| Name |
Phenylbutazone (JP18/USP/INN);
Azolid (TN) |
|---|
| Formula |
C19H20N2O2
|
|---|
| Exact mass |
308.1525
|
|---|
| Mol weight |
308.3743
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
Metabolizing enzyme inhibitor
DG01643 CYP2C9 inhibitor
|
|---|
| Remark |
|
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| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, Antirheumatic, COX inhibitor |
|---|
| Comment |
Pyrazolon derivative
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
CYP inhibition: CYP2C9 [HSA: 1559]
|
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| Structure map |
| map07112 | 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 (JP18/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 (JP18/USP/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
DG00745 Phenylbutazone
D00510 Phenylbutazone
Metabolizing enzyme inhibitor
DG01643 CYP2C9 inhibitor
DG00745 Phenylbutazone
D00510 Phenylbutazone
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D00510 Phenylbutazone (JP18/USP/INN)
PTGS2 (COX2)
D00510 Phenylbutazone (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00510 Phenylbutazone
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00510
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
DG00745 Phenylbutazone
Metabolizing enzyme inhibitor
DG01643 CYP2C9 inhibitor
DG00745 Phenylbutazone
|
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| Other DBs |
|
|---|
| 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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