PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022040

FormulaC31H30F2N4O2S

Molecular weight560.67

InChIKeyPUEICBFJLBVZCW-UHFFFAOYSA-N

Physicochemical properties

Exact mass560.2058

RDKit cLogP4.17

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms40

Hetero atoms9

Rings / aromatic6 / 3

Fraction Csp30.32

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A082041	PGDB_C022040	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A082218	PGDB_C022040	PGDB_AS000466	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082426	PGDB_C022040	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082436	PGDB_C022040	PGDB_AS000639	View
% Inhibition	-	=	10-18	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083071	PGDB_C022040	PGDB_AS000053	View
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A083144	PGDB_C022040	PGDB_AS000121	View
% Inhibition	-	=	10-20	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083285	PGDB_C022040	PGDB_AS001405	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083442	PGDB_C022040	PGDB_AS000017	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A083719	PGDB_C022040	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083918	PGDB_C022040	PGDB_AS002430	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084152	PGDB_C022040	PGDB_AS002552	View
% Inhibition	-	=	10-20	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A084246	PGDB_C022040	PGDB_AS002038	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084717	PGDB_C022040	PGDB_AS000042	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A084995	PGDB_C022040	PGDB_AS001323	View

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