LCL-161

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H33FN4O3S
Molecular Weight	500.629
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LCL-161

Structure Search

SMILES

CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(F)C=C4

InChI

InChIKey=UFPFGVNKHCLJJO-SSKFGXFMSA-N

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

HIDE SMILES / InChI

Molecular Formula	C26H33FN4O3S
Molecular Weight	500.629
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:34:45 UTC 2023` Edited by `admin` on `Sat Dec 16 08:34:45 UTC 2023`
Record UNII	6TNS415Y3P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LCL-161

Common Name

English

NVP-LCL 161

Common Name

English

PROPANAMIDE, N-((1S)-1-CYCLOHEXYL-2-((2S)-2-(4-(4-FLUOROBENZOYL)-2-THIAZOLYL)-1-PYRROLIDINYL)-2-OXOETHYL)-2-(METHYLAMINO)-, (2S)-

Systematic Name

English

LCL 161 [WHO-DD]

Common Name

English

LCL161

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

582917

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

Code System Code Type Description

PUBCHEM

24737642

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

FDA UNII

6TNS415Y3P

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

DRUG BANK

DB12085

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

NCI_THESAURUS

C91079

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

EPA CompTox

DTXSID501025866

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

CAS

1005342-46-0

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

SMS_ID

300000041394

Created by admin on Sat Dec 16 08:34:45 UTC 2023 , Edited by admin on Sat Dec 16 08:34:45 UTC 2023

PRIMARY

Related Record Type Details


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DIABLO HOMOLOG, MITOCHONDRIAL

TARGET->MIMETIC


					YM7FH0V7ZO

LCL-161 HEMIHYDRATE

SALT/SOLVATE -> PARENT


					6C7ZU4I3AH

BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3

TARGET -> INHIBITOR

Comments:

small molecule second mitochondrial activator of caspase (SMAC) mimetic, which both disengages IAPs from caspases and induces proteasomal degradation of cIAP-1 and -2, resulting in altered signaling through the NFκB pathway.

Interaction Type:

BINDING


					YM7FH0V7ZO

LCL-161 HEMIHYDRATE

SOLVATE->ANHYDROUS


					VVM1871S9U

BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 2

TARGET -> INHIBITOR

Comments:

Small molecule second mitochondrial activator of caspase (SMAC) mimetic, which both disengages IAPs from caspases and induces proteasomal degradation of cIAP-1 and -2, resulting in altered signaling through the NFκB pathway

Interaction Type:

BINDING

Related Record Type Details


					6TNS415Y3P

LCL-161

ACTIVE MOIETY