PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

COc1ccccc1N1CCN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=S)CC1

Compound summary

Compound IDPGDB_C022057

FormulaC25H28N4O3S

Molecular weight464.591

InChIKeyHCGJFGGJDNCMOM-UHFFFAOYSA-N

Physicochemical properties

Exact mass464.1882

RDKit cLogP2.31

TPSA65.1

HBD / HBA1 / 6

Rotatable bonds5

Heavy atoms33

Hetero atoms8

Rings / aromatic5 / 2

Fraction Csp30.4

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A082188	PGDB_C022057	PGDB_AS001680	View
% Inhibition	-	=	70-80	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A083096	PGDB_C022057	PGDB_AS001289	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083669	PGDB_C022057	PGDB_AS000017	View
% Inhibition	-	=	53-60	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083831	PGDB_C022057	PGDB_AS001405	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083896	PGDB_C022057	PGDB_AS002552	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083951	PGDB_C022057	PGDB_AS002430	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084402	PGDB_C022057	PGDB_AS000466	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A084469	PGDB_C022057	PGDB_AS002221	View
% Inhibition	-	=	70-80	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A084496	PGDB_C022057	PGDB_AS000560	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	CCRF-CEM	CN119654316A	PGDB_A084915	PGDB_C022057	PGDB_AS001358	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A085312	PGDB_C022057	PGDB_AS001023	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085511	PGDB_C022057	PGDB_AS000660	View

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