etodolac   Click here for help

GtoPdb Ligand ID: 7185

Synonyms: AY-24236 | Lodine®
Approved drug Immunopharmacology Ligand
etodolac is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Etodolac is a nonsteroidal 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 4
Topological polar surface area 62.32
Molecular weight 287.15
XLogP 2.77
No. Lipinski's rules broken 0
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Canonical SMILES CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Isomeric SMILES CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
COX-2 Primary target of this compound Hs Inhibitor Inhibition 4.3 pIC50 - 1
pIC50 4.3 (IC50 5.3x10-5 M) [1]
Description: Measured as LPS-induced PGE2 production in COX-1-inhibited human monocytes.