LCL161
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
Molecular Identity
LCL161
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
PubChem CID: 24737642
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. It has a role as an antineoplastic agent and an apoptosis inducer. It is a member of 1,3-thiazoles, a N-acylpyrrolidine, an aromatic ketone, a member of monofluorobenzenes and a L-alanine derivative.
2D Structure
Properties
C26H33FN4O3S
Molecular Formula
500.60
Molecular Weight
g/mol
500.2257
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
757
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
LCL1611005342-46-0LCL-161LCL 161Nvp-lcl 161(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide6TNS415Y3PDTXSID501025866(2S)-N-((1S)-1-cyclohexyl-2-((2S)-2-(4-(4-fluorobenzoyl)-1,3-thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide(2S)-N-((1S)-1-cyclohexyl-2-((2S)-2-(4-(4-fluorobenzoyl)-1,3-thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-methylaminopropanamide(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide(2S)-N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-2-(methylamino)propanamideSmac Mimetic LCL161RefChem:152599DTXCID101510120
Data from PubChem (NCBI)
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