PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2CC3C=C(CN4CCN(Cc5ccccc5-c5ccccc5)CC4)C=CC3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C021985

FormulaC31H34N4O2S

Molecular weight526.706

InChIKeySTGYRRQEHCTGKV-UHFFFAOYSA-N

Physicochemical properties

Exact mass526.2402

RDKit cLogP3.65

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms38

Hetero atoms7

Rings / aromatic6 / 2

Fraction Csp30.39

Formal charge0

Fragments1

Activity compounds and values

Activity records

20 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A082027	PGDB_C021985	PGDB_AS000017	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A082107	PGDB_C021985	PGDB_AS002221	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A082631	PGDB_C021985	PGDB_AS002430	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082772	PGDB_C021985	PGDB_AS002552	View
% Inhibition	-	=	-5-0	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A082865	PGDB_C021985	PGDB_AS002350	View
% Inhibition	-	=	10-20	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082878	PGDB_C021985	PGDB_AS001405	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A083462	PGDB_C021985	PGDB_AS001023	View
% Inhibition	-	=	10-20	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A083590	PGDB_C021985	PGDB_AS002038	View
% Inhibition	-	=	60-70	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083648	PGDB_C021985	PGDB_AS001118	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083748	PGDB_C021985	PGDB_AS001323	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084045	PGDB_C021985	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084203	PGDB_C021985	PGDB_AS001680	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084250	PGDB_C021985	PGDB_AS000639	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084434	PGDB_C021985	PGDB_AS000466	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A084507	PGDB_C021985	PGDB_AS001358	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084879	PGDB_C021985	PGDB_AS000660	View
% Inhibition	-	=	10-20	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A084990	PGDB_C021985	PGDB_AS001289	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A085186	PGDB_C021985	PGDB_AS000121	View
% Inhibition	-	=	60-70	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A085267	PGDB_C021985	PGDB_AS000560	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085634	PGDB_C021985	PGDB_AS000053	View

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