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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9945 azeliragon
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 603148-36-3
GtoPdb PubChem SID 252166529
PubChem CID 11180124
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