balicatib   Click here for help

GtoPdb Ligand ID: 7861

Synonyms: AAE581
Compound class: Synthetic organic
Comment: Balicatib is an inhibitor of cathepsin K developed by Novartis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 88.47
Molecular weight 411.26
XLogP 2.43
No. Lipinski's rules broken 0
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Canonical SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Isomeric SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
Classification Click here for help
Compound class Synthetic organic
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International Nonproprietary Names Click here for help
INN number INN
8556 balicatib
Synonyms Click here for help
Database Links Click here for help
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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UniChem Compound Search for chemical match using the InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N

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Balicatib (links to external site)
Cat. No. 5585