balicatib

Ligand id: 7861

Name: balicatib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 88.47
Molecular weight 411.26
XLogP 2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide
International Nonproprietary Names
INN number INN
8556 balicatib
Synonyms
AAE581
Database Links
ChEMBL Ligand CHEMBL371064
PubChem CID 10201696
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Comments
Balicatib is an inhibitor of cathepsin K developed by Novartis.