KEGG   DRUG: Tolfenamic acidHelp
Entry
D01183                      Drug                                   

Name
Tolfenamic acid (JAN/INN);
Clotam (TN)
Formula
C14H12ClNO2
Exact mass
261.0557
Mol weight
261.7036
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01911  Antiinflammatory drug, fenamic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01911  Antiinflammatory drug, fenamic acid derivatives
Remark
ATC code: M01AG02
Efficacy
Anti-inflammatory, COX inhibitor
Comment
Fenamic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Structure map
map07110  Benzoic acid family
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AG Fenamates
     M01AG02 Tolfenamic acid
      D01183  Tolfenamic acid (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01183  Tolfenamic acid (JAN/INN)
    PTGS2 (COX2)
     D01183  Tolfenamic acid (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 13710-19-5
PubChem: 7848246
ChEBI: 32243
ChEMBL: CHEMBL121626
PDB-CCD: TLF[PDBj]
LigandBox: D01183
NIKKAJI: J3.125I
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8x C    14.4187  -16.5148
            2   C8x C    14.4187  -17.9143
            3   C8x C    15.6307  -18.6140
            4   C8x C    16.8427  -17.9143
            5   C8y C    16.8427  -16.5148
            6   C8y C    15.6307  -15.8150
            7   C8x C    19.2668  -17.9143
            8   C8y C    19.2668  -16.5148
            9   N1b N    18.0548  -15.8150
            10  C8x C    20.4789  -18.6140
            11  C8x C    21.6909  -17.9143
            12  C8y C    21.6909  -16.5148
            13  C8y C    20.4789  -15.8150
            14  C6a C    15.6307  -14.4157
            15  O6a O    14.4019  -13.7060
            16  O6a O    16.8258  -13.7255
            17  X   Cl   22.9069  -15.8127
            18  C1a C    20.4790  -14.4203
BOND        19
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    6  14 1
            16   14  15 2
            17   14  16 1
            18   12  17 1
            19   13  18 1

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