PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC(C)c1cc2c(C3=CCN(Cc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=S)CC3)ncnc2s1

Compound summary

Compound IDPGDB_C021998

FormulaC28H29N5O2S2

Molecular weight531.707

InChIKeyXPRCMPQMRRYXFA-UHFFFAOYSA-N

Physicochemical properties

Exact mass531.1763

RDKit cLogP4.4

TPSA78.4

HBD / HBA1 / 7

Rotatable bonds5

Heavy atoms37

Hetero atoms9

Rings / aromatic6 / 3

Fraction Csp30.39

Formal charge0

Fragments1

Activity compounds and values

Activity records

20 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	80-100	%	10 nM	-	-	-	SW620	CN119654316A	PGDB_A081926	PGDB_C021998	PGDB_AS001871	View
% Inhibition	-	=	30-40	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A081934	PGDB_C021998	PGDB_AS001405	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082118	PGDB_C021998	PGDB_AS001023	View
% Inhibition	-	=	60-70	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082454	PGDB_C021998	PGDB_AS000639	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A082703	PGDB_C021998	PGDB_AS001118	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A082720	PGDB_C021998	PGDB_AS000660	View
% Inhibition	-	=	60-70	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082876	PGDB_C021998	PGDB_AS000639	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083048	PGDB_C021998	PGDB_AS002430	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A083052	PGDB_C021998	PGDB_AS000042	View
% Inhibition	-	=	5-10	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083136	PGDB_C021998	PGDB_AS002350	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083388	PGDB_C021998	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A083594	PGDB_C021998	PGDB_AS000466	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	A375	CN119654316A	PGDB_A083681	PGDB_C021998	PGDB_AS001163	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083956	PGDB_C021998	PGDB_AS000017	View
% Inhibition	-	=	100-110	%	500 nM	-	-	-	SW620	CN119654316A	PGDB_A084193	PGDB_C021998	PGDB_AS002371	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084271	PGDB_C021998	PGDB_AS002552	View
% Inhibition	-	=	100-110	%	500 nM	-	-	-	THP-1	CN119654316A	PGDB_A085012	PGDB_C021998	PGDB_AS000421	View
% Inhibition	-	=	80-100	%	10 nM	-	-	-	THP-1	CN119654316A	PGDB_A085094	PGDB_C021998	PGDB_AS001945	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085398	PGDB_C021998	PGDB_AS000042	View
% Inhibition	-	=	50-60	%	10 nM	-	-	-	A375	CN119654316A	PGDB_A085419	PGDB_C021998	PGDB_AS000784	View

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