PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CC=C(c5cncc(Cl)c5Cl)CC4)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022112

FormulaC24H22Cl2N4O2S

Molecular weight501.439

InChIKeyFNNGRVAYLOTEOL-UHFFFAOYSA-N

Physicochemical properties

Exact mass500.0841

RDKit cLogP3.97

TPSA65.5

HBD / HBA1 / 5

Rotatable bonds4

Heavy atoms33

Hetero atoms9

Rings / aromatic5 / 2

Fraction Csp30.33

Formal charge0

Fragments1

Activity compounds and values

Activity records

20 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A081984	PGDB_C022112	PGDB_AS002552	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082120	PGDB_C022112	PGDB_AS000053	View
% Inhibition	-	=	50-60	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A082126	PGDB_C022112	PGDB_AS001118	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A082541	PGDB_C022112	PGDB_AS002430	View
% Inhibition	-	=	0-5	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A082806	PGDB_C022112	PGDB_AS002038	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082846	PGDB_C022112	PGDB_AS001323	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A082897	PGDB_C022112	PGDB_AS000121	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A083146	PGDB_C022112	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A083753	PGDB_C022112	PGDB_AS000466	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083769	PGDB_C022112	PGDB_AS001680	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083825	PGDB_C022112	PGDB_AS002350	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084236	PGDB_C022112	PGDB_AS000042	View
% Inhibition	-	=	53-60	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084386	PGDB_C022112	PGDB_AS001405	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084622	PGDB_C022112	PGDB_AS000660	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084656	PGDB_C022112	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084933	PGDB_C022112	PGDB_AS000639	View
% Inhibition	-	=	0-5	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A084943	PGDB_C022112	PGDB_AS001289	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085143	PGDB_C022112	PGDB_AS000639	View
% Inhibition	-	=	70-80	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A085572	PGDB_C022112	PGDB_AS000560	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085577	PGDB_C022112	PGDB_AS000017	View

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