| Entry |
|
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| Name |
Phenylbutazone calcium;
Peralgin (TN) |
|---|
| Formula |
(C19H19N2O2)2. Ca
|
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| Exact mass |
654.2519
|
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| Mol weight |
654.81
|
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| Structure |
|
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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
|
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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
D08363 Phenylbutazone calcium
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
D08363 Phenylbutazone calcium
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
DG00745 Phenylbutazone
D08363 Phenylbutazone calcium
Metabolizing enzyme inhibitor
DG01643 CYP2C9 inhibitor
DG00745 Phenylbutazone
D08363 Phenylbutazone calcium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D08363 Phenylbutazone calcium
PTGS2 (COX2)
D08363 Phenylbutazone calcium
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08363
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 47
1 C1y C 20.7900 -17.9200 #-
2 C1b C 22.1900 -17.9200
3 C5x C 19.9500 -16.8000
4 N1y N 18.6200 -17.2200
5 N1y N 18.6200 -18.6900
6 C5x C 19.9500 -19.1100
7 O5x O 20.4400 -20.3700
8 O5x O 20.4400 -15.5400
9 C8x C 14.9800 -15.1200
10 C8x C 14.9800 -16.5200
11 C8x C 16.1700 -17.2200
12 C8y C 17.4300 -16.5200
13 C8x C 17.4300 -15.1200
14 C8x C 16.1700 -14.4200
15 C8x C 14.9800 -19.3900
16 C8x C 14.9800 -20.7900
17 C8x C 16.1700 -21.4900
18 C8x C 17.4300 -20.7900
19 C8y C 17.4300 -19.3900
20 C8x C 16.1700 -18.6900
21 C1b C 22.8900 -16.7300
22 C1b C 24.2900 -16.7300
23 C1a C 24.9900 -15.5400
24 Z Ca 29.9600 -17.5700 #2+
25 C1y C 20.7900 -17.9200 #-
26 C1b C 22.1900 -17.9200
27 C1b C 22.8900 -16.7300
28 C1b C 24.2900 -16.7300
29 C1a C 24.9900 -15.5400
30 C5x C 19.9500 -16.8000
31 N1y N 18.6200 -17.2200
32 N1y N 18.6200 -18.6900
33 C5x C 19.9500 -19.1100
34 O5x O 20.4400 -20.3700
35 C8y C 17.4300 -19.3900
36 C8x C 17.4300 -20.7900
37 C8x C 16.1700 -21.4900
38 C8x C 14.9800 -20.7900
39 C8x C 14.9800 -19.3900
40 C8x C 16.1700 -18.6900
41 C8y C 17.4300 -16.5200
42 C8x C 16.1700 -17.2200
43 C8x C 14.9800 -16.5200
44 C8x C 14.9800 -15.1200
45 C8x C 16.1700 -14.4200
46 C8x C 17.4300 -15.1200
47 O5x O 20.4400 -15.5400
BOND 50
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
26 25 26 1
27 25 30 1
28 30 31 1
29 31 32 1
30 32 33 1
31 25 33 1
32 33 34 2
33 30 47 2
34 44 43 2
35 43 42 1
36 42 41 2
37 41 46 1
38 46 45 2
39 44 45 1
40 41 31 1
41 39 38 2
42 38 37 1
43 37 36 2
44 36 35 1
45 35 40 2
46 39 40 1
47 35 32 1
48 26 27 1
49 27 28 1
50 28 29 1
BRACKET 1 12.9500 -22.1200 12.9500 -13.3000
1 27.2300 -13.3000 27.2300 -22.1200
1 2
ORIGINAL 1 1 2 21 22 23 3 4 5 6 7 19 18 17 16 15 20
1 12 11 10 9 14 13 8
REPEAT 1 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40
1 41 42 43 44 45 46 47
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