KEGG   DRUG: Aceclofenac
Entry
D01545                      Drug                                   

Name
Aceclofenac (JAN/INN);
Aceclofenac (TN)
Formula
C16H13Cl2NO4
Exact mass
353.0222
Mol weight
354.1847
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: M01AB16 M02AA25
Efficacy
Anti-inflammatory, COX inhibitor
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGES [HSA:9536] [KO:K15729]
  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
     M01AB16 Aceclofenac
      D01545  Aceclofenac (JAN/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
     M02AA25 Aceclofenac
      D01545  Aceclofenac (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01545  Aceclofenac (JAN/INN)
    PTGS2 (COX2)
     D01545  Aceclofenac (JAN/INN)
  Isomerases (EC5)
   Prostaglandin-E synthase
    PTGES
     D01545  Aceclofenac (JAN/INN)
Other DBs
CAS: 89796-99-6
PubChem: 7848608
ChEBI: 31159
ChEMBL: CHEMBL93645
LigandBox: D01545
NIKKAJI: J22.763C
LinkDB
KCF data

ATOM        23
            1   C8x C     4.2700   -9.5900
            2   C8x C     4.2700  -10.9900
            3   C8y C     5.4824  -11.6900
            4   C8y C     6.6949  -10.9900
            5   C8y C     6.6949   -9.5900
            6   C8x C     5.4824   -8.8900
            7   N1b N     7.9260  -11.7010
            8   C8y C     7.9257  -13.0899
            9   X   Cl    5.4824  -13.0898
            10  X   Cl    7.9260   -8.8790
            11  C8x C     6.7014  -13.7966
            12  C8x C     6.7012  -15.1966
            13  C8x C     7.9135  -15.8967
            14  C8x C     9.1379  -15.1901
            15  C8y C     9.1381  -13.7901
            16  C1b C    10.3743  -13.0762
            17  C7a C    11.5819  -13.7733
            18  O7a O    12.7631  -13.0912
            19  O6a O    11.5824  -15.1896
            20  C1b C    13.9576  -13.7809
            21  C6a C    15.1454  -13.0951
            22  O6a O    16.3365  -13.7829
            23  O6a O    15.1455  -11.6902
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     3   9 1
            10    5  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    8  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2

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