LCL161

Ligand id: 7912

Name: LCL161

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 119.64
Molecular weight 500.23
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide
Synonyms
LCL-161
Database Links
CAS Registry No. 1005342-46-0
ChEMBL Ligand CHEMBL2431768
PubChem CID 24737642
Search Google for chemical match using the InChIKey UFPFGVNKHCLJJO-SSKFGXFMSA-N
Search Google for chemicals with the same backbone UFPFGVNKHCLJJO
Search UniChem for chemical match using the InChIKey UFPFGVNKHCLJJO-SSKFGXFMSA-N
Search UniChem for chemicals with the same backbone UFPFGVNKHCLJJO
Comments
LCL161 is a SMAC mimetic which acts as an inhibitor of IAPs (inhibitor of apoptosis proteins), binding predominantly to their BIR3 domain [1]. Use the following hyperlinks to view protein sequences for XIAP BIR3 and cIAP1 BIR3 provided by UniProt.org.