KEGG   DRUG: Phenylbutazone sodium
Entry
D08364                      Drug                                   

Name
Phenylbutazone sodium;
Ambene (TN)
Formula
C19H19N2O2. Na
Exact mass
330.1344
Mol weight
330.3561
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01949  Anti-inflammatory drug, phenylbutazones
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
Remark
ATC code: M01AA01 M02AA01
Chemical structure group: DG00745
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, Antirheumatic, COX inhibitor
Comment
Pyrazolon derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
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
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
Other DBs
CAS: 129-18-0
PubChem: 96025050
NIKKAJI: J57.832K
LinkDB
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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