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- ChemComp-FLF: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: FLF
NameName: 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid / Synonyms: FLUFENAMIC ACID
WikipediaWikipedia - Flufenamic acid:

Flufenamic acid is a member of the anthranilic acid derivatives (or fenamate) class of nonsteroidal anti-inflammatory drugs (NSAIDs).: 718  Like other members of the class, it is a cyclooxygenase (COX) inhibitor, preventing the formation of prostaglandins. FFA is known to bind to and reduce the activity of prostaglandin F synthase and activate TRPC6.

Scientists led by Claude Winder from Parke-Davis invented FFA in 1963, along with fellow members of the class, mefenamic acid in 1961 and meclofenamic acid in 1964.: 718 

Although flufenamic acid was at one time informally referred to as "Fluffy" (see history cache), this pet name could also refer to flufenoxine.

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Commentantiinflammatory, inhibitor*YM

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Chemical information

Composition
Formula: C14H10F3NO2 / Number of atoms: 30 / Formula weight: 281.23 / Formal charge: 0
Others

1s2c

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FLF / Model coordinates PDB-ID: 1S2C
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O
CACTVS 3.341OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.341OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F

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InChI

InChI 1.03InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

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InChIKey

InChI 1.03LPEPZBJOKDYZAD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
OpenEye OEToolkits 1.5.02-[[3-(trifluoromethyl)phenyl]amino]benzoic acid

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PDB entries

Showing all 7 items

1bm7

1s2c

2pix

3ozl

4i5x

5dq8

5ikv

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