flufenamic acid   

GtoPdb Ligand ID: 2447

flufenamic acid is an approved drug
Compound class: Synthetic organic
Comment: A non-selective cyclooxygenase inhibitor; NSAID.
2D Structure
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Physico-chemical Properties
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
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
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes
IUPAC Name
2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid
International Nonproprietary Names
INN number INN
1495 flufenamic acid
Database Links
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