GSK1521498

Ligand id: 9287

Name: GSK1521498

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 53.6
Molecular weight 402.17
XLogP 7.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
GSK-1521498
Database Links
PubChem CID 24737629
Search Google for chemical match using the InChIKey WIEDUMBCZQRGSY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WIEDUMBCZQRGSY
Search UniChem for chemical match using the InChIKey WIEDUMBCZQRGSY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WIEDUMBCZQRGSY
Comments
GSK1521498 is a μ opioid receptor antagonist [4-5] in clinical development for disorders of compulsive consumption (e.g stimulant drug seeking, binge eating [7], or excessive alcohol consumption). It is >10-fold selective for human μ receptor compared to the κ and δ receptors in vitro [4]. It may be used experimentally as the phosphate with IUPAC name N-{[3,5-difluoro-3′-(1H-1,2,4-triazol-3-yl)-4-biphenylyl]methyl}-2,3-dihydro-1H-inden-2-amine phosphate (1:1). The chemical structure of GSK1521498 is claimed in patent US8822518 [2], with prior chemical series claimed in WO2008021849 [1].