KEGG   DRUG: DexketoprofenHelp
Entry
D07269                      Drug                                   

Name
Dexketoprofen (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: M01AE17 M02AA27
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
     M01AE17 Dexketoprofen
      D07269  Dexketoprofen (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
     M02AA27 Dexketoprofen
      D07269  Dexketoprofen (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07269  Dexketoprofen (INN)
    PTGS2 (COX2)
     D07269  Dexketoprofen (INN)
BRITE hierarchy
Other DBs
CAS: 22161-81-5
PubChem: 51091607
ChEBI: 76128
ChEMBL: CHEMBL75435
LigandBox: D07269
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8x C    21.4315  -18.4228
            2   C8x C    21.4315  -19.8239
            3   C8x C    22.6447  -20.5244
            4   C8x C    23.8581  -19.8239
            5   C8y C    23.8581  -18.4228
            6   C8x C    22.6447  -17.7223
            7   C5a C    25.0901  -17.7113
            8   C8y C    26.2962  -18.4075
            9   C8x C    26.2966  -19.8235
            10  C8x C    27.5101  -20.5237
            11  C8x C    28.7233  -19.8228
            12  C8y C    28.7228  -18.4067
            13  C8x C    27.5093  -17.7066
            14  C1c C    29.9245  -17.7126
            15  C6a C    31.1294  -18.4080
            16  O6a O    32.3130  -17.7244
            17  O6a O    31.1300  -19.8235
            18  C1a C    29.9241  -16.3214
            19  O5a O    25.0898  -16.3214
BOND        20
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19   14  18 1 #Down
            20    7  19 2

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