PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4CCN(c5ccc(Cl)cc5)CC4)cccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C021981

FormulaC24H25ClN4O2S

Molecular weight469.01

InChIKeyNQJDHZYPCZZLNS-UHFFFAOYSA-N

Physicochemical properties

Exact mass468.1387

RDKit cLogP2.96

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds4

Heavy atoms32

Hetero atoms8

Rings / aromatic5 / 2

Fraction Csp30.38

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	50-60	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082167	PGDB_C021981	PGDB_AS000639	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A082697	PGDB_C021981	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A082737	PGDB_C021981	PGDB_AS000466	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083180	PGDB_C021981	PGDB_AS001118	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A083635	PGDB_C021981	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083921	PGDB_C021981	PGDB_AS001323	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084195	PGDB_C021981	PGDB_AS002552	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084492	PGDB_C021981	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A085037	PGDB_C021981	PGDB_AS002430	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A085069	PGDB_C021981	PGDB_AS002350	View
% Inhibition	-	=	20-30	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085150	PGDB_C021981	PGDB_AS001405	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085320	PGDB_C021981	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085470	PGDB_C021981	PGDB_AS000017	View
% Inhibition	-	=	60-80	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085744	PGDB_C021981	PGDB_AS000053	View

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