KEGG   DRUG: OxyphenbutazoneHelp
Entry
D08324                      Drug                                   

Name
Oxyphenbutazone (INN);
Reozon (TN);
Oxyphenbutazone (TN)
Formula
C19H20N2O3
Exact mass
324.1474
Mol weight
324.3737
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01949  Antiinflammatory drug, phenylbutazones
Remark
Same as: C19494
ATC code: M01AA03 M02AA04 S01BC02
Chemical structure group: DG00746
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, Antirheumatic, COX inhibitor
Comment
nonsteroidal antiinflammatory drug (NSAID)
Pyrazolone derivative phenylbutazone type
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
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
     M01AA03 Oxyphenbutazone
      D08324  Oxyphenbutazone (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
     M02AA04 Oxyphenbutazone
      D08324  Oxyphenbutazone (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC02 Oxyphenbutazone
      D08324  Oxyphenbutazone (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08324  Oxyphenbutazone (INN)
    PTGS2 (COX2)
     D08324  Oxyphenbutazone (INN)
BRITE hierarchy
Other DBs
CAS: 129-20-4
PubChem: 96025011
ChEBI: 76258
ChEMBL: CHEMBL1228
DrugBank: DB03585
LigandBox: D08324
NIKKAJI: J10.648H
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    25.6200  -17.9200
            2   C1b C    27.0200  -17.9200
            3   C5x C    24.7800  -16.8000
            4   N1y N    23.4500  -17.2200
            5   N1y N    23.4500  -18.6200
            6   C5x C    24.7800  -19.0400
            7   O5x O    25.2000  -20.3700
            8   O5x O    25.2000  -15.5400
            9   C8y C    19.8100  -15.1200
            10  C8x C    19.8100  -16.5200
            11  C8x C    21.0000  -17.2200
            12  C8y C    22.2600  -16.5200
            13  C8x C    22.2600  -15.1200
            14  C8x C    21.0000  -14.4200
            15  C8x C    19.8100  -19.3200
            16  C8x C    19.8100  -20.7200
            17  C8x C    21.0000  -21.4200
            18  C8x C    22.2600  -20.7200
            19  C8y C    22.2600  -19.3200
            20  C8x C    21.0000  -18.6200
            21  C1b C    27.7200  -16.7300
            22  C1b C    29.1200  -16.7300
            23  C1a C    29.8200  -15.5400
            24  O1a O    18.5500  -14.4200
BOND        26
            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    9  24 1

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