PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1ccc(Sc2ccccc2N2CCN(Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=S)CC2)c(C)c1

Compound summary

Compound IDPGDB_C021995

FormulaC32H34N4O2S2

Molecular weight570.784

InChIKeyFUCDAVNHMQHNBQ-UHFFFAOYSA-N

Physicochemical properties

Exact mass570.2123

RDKit cLogP5.07

TPSA55.9

HBD / HBA1 / 6

Rotatable bonds6

Heavy atoms40

Hetero atoms8

Rings / aromatic6 / 3

Fraction Csp30.34

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	80-100	%	500 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A082044	PGDB_C021995	PGDB_AS002221	View
% Inhibition	-	=	-5-0	%	10 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A082409	PGDB_C021995	PGDB_AS001358	View
% Degradation	-	=	0-80	%	-	-	-	-	-	CN119654316A	PGDB_A082743	PGDB_C021995	PGDB_AS000466	View
% Inhibition	-	=	60-80	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083968	PGDB_C021995	PGDB_AS001323	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084557	PGDB_C021995	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A084606	PGDB_C021995	PGDB_AS000121	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084881	PGDB_C021995	PGDB_AS001680	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085138	PGDB_C021995	PGDB_AS000639	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085383	PGDB_C021995	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085437	PGDB_C021995	PGDB_AS000017	View
% Inhibition	-	=	-5-0	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A085443	PGDB_C021995	PGDB_AS002038	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085593	PGDB_C021995	PGDB_AS000042	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A085608	PGDB_C021995	PGDB_AS002430	View
% Inhibition	-	=	-5-0	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085718	PGDB_C021995	PGDB_AS000053	View

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