KEGG   DRUG: Niflumic acidHelp
Entry
D08275                      Drug                                   

Name
Niflumic acid (INN);
Niflugel (TN)
Formula
C13H9F3N2O2
Exact mass
282.0616
Mol weight
282.218
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
Remark
Same as: C13698
ATC code: M01AX02 M02AA17
Efficacy
Analgesic, Anti-inflammatory, COX-2 inhibitor
Comment
Anilinonicotinic acid derivative
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
CLCA [HSA:1179 9635 22802] [KO:K05027 K05028 K05030]
  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
    M01AX Other antiinflammatory and antirheumatic agents, non-steroids
     M01AX02 Niflumic acid
      D08275  Niflumic acid (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
     M02AA17 Niflumic acid
      D08275  Niflumic acid (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Other ion channels
   Chloride channel
    CLCA
     D08275  Niflumic acid (INN)
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D08275  Niflumic acid (INN)
BRITE hierarchy
Other DBs
CAS: 4394-00-7
PubChem: 96024962
ChEBI: 34888
ChEMBL: CHEMBL63323
DrugBank: DB04552
PDB-CCD: NFL[PDBj]
LigandBox: D08275
NIKKAJI: J9.623G
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    21.0700  -17.9200
            2   C8y C    21.0700  -16.5200
            3   C8x C    19.8100  -15.8200
            4   C8y C    18.6200  -16.5200
            5   C8x C    18.6200  -17.9200
            6   C8x C    19.8100  -18.6200
            7   N1b N    17.4300  -15.8200
            8   C8y C    16.2400  -16.5200
            9   C8y C    14.9800  -15.8200
            10  C8x C    13.7900  -16.5200
            11  C8x C    13.7900  -17.9200
            12  C8x C    14.9800  -18.6200
            13  N5x N    16.2400  -17.9200
            14  C6a C    14.9800  -14.4200
            15  O6a O    16.2400  -13.7200
            16  O6a O    13.7900  -13.7200
            17  C1d C    22.2600  -15.8200
            18  X   F    22.9600  -17.0100
            19  X   F    21.5600  -14.6300
            20  X   F    23.4500  -15.1200
BOND        21
            1     5   6 2
            2     6   1 1
            3     8   9 2
            4     9  10 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13   8 1
            9     9  14 1
            10    4   7 1
            11   14  15 1
            12    1   2 2
            13   14  16 2
            14    7   8 1
            15    2  17 1
            16    2   3 1
            17   17  18 1
            18    3   4 2
            19   17  19 1
            20    4   5 1
            21   17  20 1

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