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
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.
Database Links
CAS Registry No. 475479-34-6
ChEMBL Ligand CHEMBL519504
DrugBank Ligand DB08483
GtoPdb PubChem SID 178103977
PubChem CID 10274777
RCSB PDB Ligand RO7
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Wikipedia Aleglitazar