azeliragon   Click here for help

GtoPdb Ligand ID: 8317

Synonyms: TTP488
Compound class: Synthetic organic
Comment: Azeliragon is an orally bioavailable small molecule that inhibits the receptor for advanced glycation endproducts (RAGE) [4-5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 14
Topological polar surface area 39
Molecular weight 531.27
XLogP 8.8
No. Lipinski's rules broken 2
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Canonical SMILES CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC
Isomeric SMILES CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC
InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
advanced glycosylation end-product specific receptor Primary target of this compound Hs Antagonist Antagonist ~6.0 pIC50 - 3-4
pIC50 ~6.0 (IC50 ~1x10-6 M) [3-4]