relacatib

Ligand id: 7862

Name: relacatib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 147.06
Molecular weight 540.2
XLogP 4.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
International Nonproprietary Names
INN number INN
8682 relacatib
Synonyms
SB-462795 | SB462795
Database Links
CAS Registry No. 362505-84-8 (source: Scifinder)
ChEMBL Ligand CHEMBL203665
PubChem CID 6918602
Search Google for chemical match using the InChIKey BWYBBMQLUKXECQ-GIVPXCGWSA-N
Search Google for chemicals with the same backbone BWYBBMQLUKXECQ
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Search UniChem for chemical match using the InChIKey BWYBBMQLUKXECQ-GIVPXCGWSA-N
Search UniChem for chemicals with the same backbone BWYBBMQLUKXECQ
Comments
Relacatib is a cathepsin K inhibitor, developed by GlaxoSmithKline and selected for clinical development in osteoporosis.