PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4CC=C(c5ncnc6sc(-c7ccccc7)cc56)CC4)cccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022275

FormulaC31H27N5O2S2

Molecular weight565.724

InChIKeyDDSVTOCXGXOBQS-UHFFFAOYSA-N

Physicochemical properties

Exact mass565.1606

RDKit cLogP4.94

TPSA78.4

HBD / HBA1 / 7

Rotatable bonds5

Heavy atoms40

Hetero atoms9

Rings / aromatic7 / 4

Fraction Csp30.26

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082268	PGDB_C022275	PGDB_AS000639	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082580	PGDB_C022275	PGDB_AS002552	View
% Inhibition	-	=	40-53	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082643	PGDB_C022275	PGDB_AS001405	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083287	PGDB_C022275	PGDB_AS001680	View
% Inhibition	-	=	18-25	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083509	PGDB_C022275	PGDB_AS000053	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A083941	PGDB_C022275	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084040	PGDB_C022275	PGDB_AS000466	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084558	PGDB_C022275	PGDB_AS001023	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084746	PGDB_C022275	PGDB_AS000042	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085101	PGDB_C022275	PGDB_AS001323	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085206	PGDB_C022275	PGDB_AS000017	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085215	PGDB_C022275	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A085453	PGDB_C022275	PGDB_AS002430	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085600	PGDB_C022275	PGDB_AS000639	View

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