CHEBI:193137 - LCL161

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name LCL161
ChEBI ID CHEBI:193137
Definition LCL161 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.
Stars This entity has been manually annotated by a third party.
Submitter Stan Laulederkind
Supplier Information
Download Molfile XML SDF
Formula C26H33FN4O3S
Net Charge 0
Average Mass 500.630
Monoisotopic Mass 500.22574
InChI InChI=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
InChIKey UFPFGVNKHCLJJO-SSKFGXFMSA-N
SMILES [H][C@]1(CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1=NC(=CS1)C(=O)C1=CC=C(F)C=C1
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LCL161 (CHEBI:193137) has role antineoplastic agent (CHEBI:35610)
LCL161 (CHEBI:193137) has role apoptosis inducer (CHEBI:68495)
LCL161 (CHEBI:193137) is a 1,3-thiazoles (CHEBI:38418)
LCL161 (CHEBI:193137) is a N-acylpyrrolidine (CHEBI:46766)
LCL161 (CHEBI:193137) is a L-alanine derivative (CHEBI:83943)
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 Sources
(2S)-N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-2-(methylamino)propanamide IUPAC
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide ChEBI
LCL 161 ChEBI
LCL-161 SUBMITTER
NVP-LCL161 ChEBI
Registry Number Type Source
1005342-46-0 CAS Registry Number SUBMITTER
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Last Modified
26 September 2023