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
GtoPdb PubChem SID 223366191
PubChem CID 10201696
Search Google for chemical match using the InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LLCRBOWRJOUJAE
Comments
Balicatib is an inhibitor of cathepsin K developed by Novartis.