KEGG   DRUG: AlclofenacHelp
Entry
D01252                      Drug                                   

Name
Alclofenac (JAN/USP/INN);
Mervan (TN)
Formula
C11H11ClO3
Exact mass
226.0397
Mol weight
226.6562
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01906  Antiinflammatory drug, acetic acid derivatives
  DG01898  Antiinflammatory drug, phenylacetic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01906  Antiinflammatory drug, acetic acid derivatives
   DG01898  Antiinflammatory drug, phenylacetic acid derivatives
Remark
ATC code: M01AB06
Efficacy
Anti-inflammatory
Target
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
    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)
BRITE hierarchy
Other DBs
CAS: 22131-79-9
PubChem: 7848315
ChEBI: 31183
ChEMBL: CHEMBL94081
LigandBox: D01252
NIKKAJI: J3.154B
LinkDB All DBs
KCF data Show

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

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