| Entry |
|
|---|
| Name |
Phenylbutazone sodium;
Ambene (TN) |
|---|
| Formula |
C19H19N2O2. Na
|
|---|
| Exact mass |
330.1344
|
|---|
| Mol weight |
330.36
|
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| Structure |
|
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| Simcomp |
|
|---|
| 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
|
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| 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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| 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
D08364 Phenylbutazone sodium
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
D08364 Phenylbutazone sodium
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
DG00745 Phenylbutazone
D08364 Phenylbutazone sodium
Metabolizing enzyme inhibitor
DG01643 CYP2C9 inhibitor
DG00745 Phenylbutazone
D08364 Phenylbutazone sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D08364 Phenylbutazone sodium
PTGS2 (COX2)
D08364 Phenylbutazone sodium
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08364
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 |
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| LinkDB |
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| KCF data |
ATOM 24
1 C1y C 24.8500 -18.1300 #-
2 C1b C 26.2500 -18.1300
3 C5x C 24.0100 -17.0100
4 N1y N 22.6800 -17.4300
5 N1y N 22.6800 -18.9000
6 C5x C 24.0100 -19.3200
7 O5x O 24.5000 -20.5800
8 O5x O 24.5000 -15.7500
9 C8x C 19.0400 -15.3300
10 C8x C 19.0400 -16.7300
11 C8x C 20.2300 -17.4300
12 C8y C 21.4900 -16.7300
13 C8x C 21.4900 -15.3300
14 C8x C 20.2300 -14.6300
15 C8x C 19.0400 -19.6000
16 C8x C 19.0400 -21.0000
17 C8x C 20.2300 -21.7000
18 C8x C 21.4900 -21.0000
19 C8y C 21.4900 -19.6000
20 C8x C 20.2300 -18.9000
21 C1b C 26.9500 -16.9400
22 C1b C 28.3500 -16.9400
23 C1a C 29.0500 -15.7500
24 Z Na 30.7300 -19.7400 #+
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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