KEGG   DRUG: D00510Help
Entry
D00510                      Drug                                   

Name
Phenylbutazone (JP16/USP/INN);
Azolid (TN)
Formula
C19H20N2O2
Exact mass
308.1525
Mol weight
308.3743
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antirheumatic
Remark
Same as: 
ATC code: 
Comment
Pyrazolon derivative
Target
cyclooxygenase-1 (COX-1) inhibitor [HSA:5742] [KO:K00509];
cyclooxygenase-2 (COX-2) inhibitor [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04370  VEGF signaling pathway  
 
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
Drug interaction
Structure map
1,2-Diphenyl substitution family
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)
BRITE hierarchy
Other DBs
CAS: 
50-33-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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