aleglitazar

Ligand id: 7405

Name: aleglitazar

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 110.03
Molecular weight 437.13
XLogP 5.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid
International Nonproprietary Names
INN number INN
8736 aleglitazar
Synonyms
R-1439 | Ro-0728804
Database Links
CAS Registry No. 475479-34-6
ChEMBL Ligand CHEMBL519504
DrugBank Ligand DB08483
PubChem CID 10274777
RCSB PDB Ligand RO7
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Search UniChem for chemical match using the InChIKey DAYKLWSKQJBGCS-NRFANRHFSA-N
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Wikipedia Aleglitazar
Comments
Phase 3 trial of this investigational diabetes drug (the ALECARDIO trial) was halted in 2013, due to safety concerns. For more information regarding current clinical trials testing aleglitazar visit www.clinicaltrials.gov.