flufenamic acid   Click here for help

GtoPdb Ligand ID: 2447

Approved drug PDB Ligand Immunopharmacology Ligand
flufenamic acid is an approved drug
Compound class: Synthetic organic
Comment: A non-selective cyclooxygenase inhibitor; NSAID.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 49.33
Molecular weight 281.07
XLogP 4.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Isomeric SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
InChI InChI=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)
InChI Key LPEPZBJOKDYZAD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes
IUPAC Name Click here for help
2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
1495 flufenamic acid
Database Links Click here for help
BindingDB Ligand 17636
BitterDB Ligand 65
CAS Registry No. 530-78-9 (source: DrugBank)
ChEBI CHEBI:42638
ChEMBL Ligand CHEMBL23588
DrugBank Ligand DB02266
DrugCentral Ligand 1193
GtoPdb PubChem SID 135650269
PubChem CID 3371
RCSB PDB Ligand FLF
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Wikipedia Flufenamic_acid

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Tocris
Flufenamic acid
Cat. No. 4522