KEGG   DRUG: EtofenamateHelp
Entry
D04102                      Drug                                   

Name
Etofenamate (USAN/INN)
Formula
C18H18F3NO4
Exact mass
369.1188
Mol weight
369.335
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01911  Antiinflammatory drug, fenamic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01911  Antiinflammatory drug, fenamic acid derivatives
Remark
ATC code: M02AA06
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Fenamic acid derivative
nonsteroidal anti-inflammatory drug (NSAID)
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
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA06 Etofenamate
      D04102  Etofenamate (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D04102  Etofenamate (USAN/INN)
    PTGS2 (COX2)
     D04102  Etofenamate (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 30544-47-9
PubChem: 47206054
ChEMBL: CHEMBL1451633
LigandBox: D04102
NIKKAJI: J20.314I
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    18.0935  -15.9862
            2   C8x C    18.0935  -17.3873
            3   C8x C    19.3097  -18.0878
            4   C8x C    20.5189  -17.3873
            5   C8y C    20.5189  -15.9862
            6   C8y C    19.3097  -15.2857
            7   N1b N    21.7327  -15.2866
            8   C8y C    22.9454  -15.9879
            9   C8x C    22.9390  -17.3871
            10  C8y C    24.1517  -18.0884
            11  C8x C    25.3655  -17.3888
            12  C8x C    25.3665  -15.9878
            13  C8x C    24.1537  -15.2864
            14  C1d C    24.1433  -19.4888
            15  X   F    25.5443  -19.4888
            16  X   F    22.7423  -19.4816
            17  C7a C    19.3114  -13.8847
            18  O7a O    20.5257  -13.1857
            19  O6a O    18.0991  -13.1827
            20  X   F    24.1362  -20.8898
            21  C1b C    21.7305  -13.8847
            22  C1b C    22.9405  -13.1842
            23  O2a O    24.1505  -13.8847
            24  C1b C    25.3604  -13.1842
            25  C1b C    26.5480  -13.8677
            26  O1a O    27.7492  -13.1718
BOND        27
            1     9  10 1
            2    10  11 2
            3    11  12 1
            4    12  13 2
            5    13   8 1
            6    10  14 1
            7     5   7 1
            8    14  15 1
            9     1   2 2
            10   14  16 1
            11    7   8 1
            12    6  17 1
            13    2   3 1
            14   17  18 1
            15    3   4 2
            16   17  19 2
            17    4   5 1
            18   14  20 1
            19   18  21 1
            20    5   6 2
            21   21  22 1
            22    6   1 1
            23   22  23 1
            24    8   9 2
            25   23  24 1
            26   24  25 1
            27   25  26 1

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