meclofenamic acid   Click here for help

GtoPdb Ligand ID: 7219

Synonyms: CL-583 | INF-4668 | Meclomen®
Approved drug PDB Ligand Immunopharmacology Ligand
meclofenamic acid is an approved drug
Compound class: Synthetic organic
Comment: Meclofenamic acid is a non-steroidal anti-inflammatory drug (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 3
Topological polar surface area 49.33
Molecular weight 295.02
XLogP 4.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C
Isomeric SMILES OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C
InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChI Key SBDNJUWAMKYJOX-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-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
2165 meclofenamic acid
Synonyms Click here for help
CL-583 | INF-4668 | Meclomen®
Database Links Click here for help
CAS Registry No. 644-62-2
ChEMBL Ligand CHEMBL509
DrugBank Ligand DB00939
DrugCentral Ligand 1650
GtoPdb PubChem SID 178103793
PubChem CID 4037
RCSB PDB Ligand JMS
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SynPHARM 79412 (in complex with COX-2 )
Wikipedia Meclofenamic acid