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
SMILES / InChI / InChIKey
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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
InChI Key KJNNWYBAOPXVJY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
International Nonproprietary Names Click here for help
INN number INN
9945 azeliragon
Synonyms Click here for help
TTP488
Database Links Click here for help
CAS Registry No. 603148-36-3
GtoPdb PubChem SID 252166529
PubChem CID 11180124
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