PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

COc1ccccc1N1CCN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=S)CC1

Compound summary

Compound IDPGDB_C022077

FormulaC25H28N4O3S

Molecular weight464.591

InChIKeyCQUODTWZNNWLGZ-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
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082202	PGDB_C022077	PGDB_AS002552	View
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A082503	PGDB_C022077	PGDB_AS000121	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A082775	PGDB_C022077	PGDB_AS000017	View
% Inhibition	-	=	10-20	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A082928	PGDB_C022077	PGDB_AS002038	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A083181	PGDB_C022077	PGDB_AS000466	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A083302	PGDB_C022077	PGDB_AS001023	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083474	PGDB_C022077	PGDB_AS001680	View
% Inhibition	-	=	60-80	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A084142	PGDB_C022077	PGDB_AS001323	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A084920	PGDB_C022077	PGDB_AS002430	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084983	PGDB_C022077	PGDB_AS000660	View
% Inhibition	-	=	10-18	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085504	PGDB_C022077	PGDB_AS000053	View
% Inhibition	-	=	30-40	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085620	PGDB_C022077	PGDB_AS001405	View

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