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CHEBI:193137 - LCL161

ChEBI IDCHEBI:193137
ChEBI NameLCL161
Stars
DefinitionLCL161 is a small molecule inhibitor of IAPs that has potent antitumour activity in a range of solid tumours. In HCC, response to LCL161 therapy has shown to be mediated by Bcl-2 expression.
Last Modified26 September 2023
Submitterslaulederkind
DownloadsMolfile
FormulaC26H33FN4O3S
Net Charge0
Average Mass500.640
Monoisotopic Mass500.22574
SMILES[H][C@@]1(c2nc(C(=O)c3ccc(F)cc3)cs2)CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1
InChIInChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1
InChIKeyUFPFGVNKHCLJJO-SSKFGXFMSA-N
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
LCL161 (CHEBI:193137) has role antineoplastic agent (CHEBI:35610)
LCL161 (CHEBI:193137) has role apoptosis inducer (CHEBI:68495)
LCL161 (CHEBI:193137) is a N-acylpyrrolidine (CHEBI:46766)
LCL161 (CHEBI:193137) is a L-alanine derivative (CHEBI:83943)
LCL161 (CHEBI:193137) is a 1,3-thiazoles (CHEBI:38418)
LCL161 (CHEBI:193137) is a aromatic ketone (CHEBI:76224)
LCL161 (CHEBI:193137) is a monofluorobenzenes (CHEBI:83575)
IUPAC Name 
N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N2-methyl-L-alaninamide
Synonyms  Source
LCL 161ChEBI
(2S)-N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-2-(methylamino)propanamideIUPAC
LCL-161SUBMITTER
NVP-LCL161ChEBI
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamideChEBI
Registry NumbersSources
CAS:1005342-46-0SUBMITTER
Citations