KEGG   DRUG: Alclofenac
Entry
D01252                      Drug                                   

Name
Alclofenac (JAN/USP/INN);
Mervan (TN)
Formula
C11H11ClO3
Exact mass
226.0397
Mol weight
226.6562
Structure
Class
Anti-inflammatory
 DG01906  Anti-inflammatory drug, acetic acid derivatives
  DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
Remark
ATC code: M01AB06
Efficacy
Anti-inflammatory
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
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
    M01AB Acetic acid derivatives and related substances
     M01AB06 Alclofenac
      D01252  Alclofenac (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D01252  Alclofenac (JAN/USP/INN)
Other DBs
CAS: 22131-79-9
PubChem: 7848315
ChEBI: 31183
ChEMBL: CHEMBL94081
LigandBox: D01252
NIKKAJI: J3.154B
LinkDB
KCF data

ATOM        15
            1   C8y C    28.3500  -25.4800
            2   C8y C    28.3500  -24.0800
            3   C8x C    29.5400  -23.3800
            4   C8y C    30.8000  -24.0800
            5   C8x C    30.8000  -25.4800
            6   C8x C    29.5400  -26.1800
            7   C1b C    31.9900  -23.3800
            8   O2a O    27.1600  -26.1800
            9   X   Cl   27.1600  -23.3800
            10  C1b C    25.9000  -25.4800
            11  C2b C    24.7100  -26.1800
            12  C2a C    23.5200  -25.4800
            13  C6a C    33.1800  -24.0800
            14  O6a O    34.4400  -23.3800
            15  O6a O    33.1800  -25.4800
BOND        15
            1     1   2 2
            2     1   8 1
            3     2   3 1
            4     2   9 1
            5     3   4 2
            6     8  10 1
            7     4   5 1
            8    10  11 1
            9     5   6 2
            10   11  12 2
            11    6   1 1
            12    7  13 1
            13   13  14 1
            14    4   7 1
            15   13  15 2

» Japanese version   » Back

DBGET integrated database retrieval system