PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCC(N(c5ccccc5)c5ccccn5)CC4)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C021976

FormulaC30H31N5O2S

Molecular weight525.678

InChIKeyUJDQZVRHMNHOOC-UHFFFAOYSA-N

Physicochemical properties

Exact mass525.2198

RDKit cLogP4.18

TPSA68.8

HBD / HBA1 / 6

Rotatable bonds6

Heavy atoms38

Hetero atoms8

Rings / aromatic6 / 3

Fraction Csp30.33

Formal charge0

Fragments1

Activity compounds and values

Activity records

20 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	70-80	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A082000	PGDB_C021976	PGDB_AS002038	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082203	PGDB_C021976	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A082257	PGDB_C021976	PGDB_AS002221	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082648	PGDB_C021976	PGDB_AS000639	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A083012	PGDB_C021976	PGDB_AS001358	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083165	PGDB_C021976	PGDB_AS000017	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083188	PGDB_C021976	PGDB_AS002430	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083206	PGDB_C021976	PGDB_AS001323	View
% Inhibition	-	=	60-70	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A083486	PGDB_C021976	PGDB_AS000560	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083698	PGDB_C021976	PGDB_AS002552	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083878	PGDB_C021976	PGDB_AS002350	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084517	PGDB_C021976	PGDB_AS000466	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A084586	PGDB_C021976	PGDB_AS000121	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A084643	PGDB_C021976	PGDB_AS001289	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A084946	PGDB_C021976	PGDB_AS001118	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085049	PGDB_C021976	PGDB_AS000660	View
% Inhibition	-	=	10-18	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085340	PGDB_C021976	PGDB_AS000053	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A085358	PGDB_C021976	PGDB_AS001680	View
% Inhibition	-	=	60-70	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085430	PGDB_C021976	PGDB_AS000042	View
% Inhibition	-	=	40-53	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085599	PGDB_C021976	PGDB_AS001405	View

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