meclofenamic acid   

GtoPdb Ligand ID: 7219

Synonyms: CL-583 | INF-4668 | Meclomen®
meclofenamic acid is an approved drug
Compound class: Synthetic organic
Comment: Meclofenamic acid is a non-steroidal anti-inflammatory drug (NSAID).
2D Structure
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Physico-chemical Properties
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
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
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-2 Hs Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 4x10-8 M) [1]
COX-1 Hs Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5x10-8 M) [1]