PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1ccc(Cl)cc1N1CCN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=S)CC1

Compound summary

Compound IDPGDB_C022146

FormulaC25H27ClN4O2S

Molecular weight483.037

InChIKeyCYOGRKCMCZKYDS-UHFFFAOYSA-N

Physicochemical properties

Exact mass482.1543

RDKit cLogP3.27

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds4

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	-	=	20-30	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082082	PGDB_C022146	PGDB_AS001405	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082836	PGDB_C022146	PGDB_AS002552	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A083297	PGDB_C022146	PGDB_AS000639	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084001	PGDB_C022146	PGDB_AS001023	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084010	PGDB_C022146	PGDB_AS000042	View
% Inhibition	-	=	5-10	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A084091	PGDB_C022146	PGDB_AS002038	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A084393	PGDB_C022146	PGDB_AS000017	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084424	PGDB_C022146	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084441	PGDB_C022146	PGDB_AS000466	View
% Inhibition	-	=	50-60	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A084764	PGDB_C022146	PGDB_AS000121	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A085590	PGDB_C022146	PGDB_AS002430	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085742	PGDB_C022146	PGDB_AS000660	View

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