mefenamic acid   Click here for help

GtoPdb Ligand ID: 2593

Synonyms: CI-473 | CN-35355 | INF-3355 | Ponstan® | Ponstel®
Approved drug PDB Ligand Immunopharmacology Ligand
mefenamic acid is an approved drug (FDA (1967))
Compound class: Synthetic organic
Comment: Mefenamic acid is an anthranilic acid derivative (or fenamate) class NSAID drug.
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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 3
Topological polar surface area 49.33
Molecular weight 241.11
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccccc1Nc1cccc(c1C)C
Isomeric SMILES OC(=O)c1ccccc1Nc1cccc(c1C)C
InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChI Key HYYBABOKPJLUIN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1967))
IUPAC Name Click here for help
2-[(2,3-Dimethylphenyl)amino]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
1494 mefenamic acid
Synonyms Click here for help
CI-473 | CN-35355 | INF-3355 | Ponstan® | Ponstel®
Database Links Click here for help
BindingDB Ligand 50134036
BitterDB Ligand 937
CAS Registry No. 61-68-7
ChEMBL Ligand CHEMBL686
DrugBank Ligand DB00784
DrugCentral Ligand 1663
GtoPdb PubChem SID 53801036
PubChem CID 4044
RCSB PDB Ligand ID8
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SynPHARM 79499 (in complex with COX-2 )
Wikipedia Mefenamic_acid