KEGG   DRUG: FenbufenHelp
Entry
D01344                      Drug                                   

Name
Fenbufen (JP17/USAN/INN)
Formula
C16H14O3
Exact mass
254.0943
Mol weight
254.2806
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01908  Antiinflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01908  Antiinflammatory drug, propionic acid derivatives
Remark
ATC code: M01AE05
Efficacy
Anti-inflammatory, COX inhibitor
Comment
Propionic acid derivative
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
    M01AE Propionic acid derivatives
     M01AE05 Fenbufen
      D01344  Fenbufen (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01344  Fenbufen (JP17/USAN/INN)
    PTGS2 (COX2)
     D01344  Fenbufen (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01344  Fenbufen
BRITE hierarchy
Other DBs
CAS: 36330-85-5
PubChem: 7848407
ChEBI: 31599
ChEMBL: CHEMBL277522
LigandBox: D01344
NIKKAJI: J3.182H
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8x C    25.2762  -16.6847
            2   C8x C    25.2762  -18.0849
            3   C8x C    26.4918  -18.7850
            4   C8x C    27.7003  -18.0849
            5   C8y C    27.7003  -16.6847
            6   C8x C    26.4918  -15.9845
            7   C8y C    28.9135  -15.9856
            8   C8x C    30.1234  -16.6882
            9   C8x C    31.3366  -15.9889
            10  C8y C    31.3377  -14.5887
            11  C8x C    30.1255  -13.8877
            12  C8x C    28.9124  -14.5868
            13  C5a C    32.5508  -13.8894
            14  C1b C    33.7628  -14.5906
            15  O5a O    32.5518  -12.4892
            16  C1b C    34.9760  -13.8913
            17  C6a C    36.1881  -14.5923
            18  O6a O    37.4014  -13.8932
            19  O6a O    36.1871  -15.9925
BOND        20
            1     5   6 2
            2     7   8 2
            3     8   9 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12   7 1
            8     6   1 1
            9    10  13 1
            10   13  14 1
            11    5   7 1
            12   13  15 2
            13    1   2 2
            14   14  16 1
            15    2   3 1
            16   16  17 1
            17    3   4 2
            18   17  18 1
            19    4   5 1
            20   17  19 2

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