PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CC=C(c5ncnc6sc(-c7ccccc7)cc56)CC4)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022000

FormulaC31H27N5O2S2

Molecular weight565.724

InChIKeyYIIWJCABBRTULU-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

18 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	80-100	%	500 nM	-	-	-	SW620	CN119654316A	PGDB_A082392	PGDB_C022000	PGDB_AS002371	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	A375	CN119654316A	PGDB_A082742	PGDB_C022000	PGDB_AS001163	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083232	PGDB_C022000	PGDB_AS002552	View
% Inhibition	-	=	5-10	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A083342	PGDB_C022000	PGDB_AS001289	View
% Inhibition	-	=	80-100	%	10 nM	-	-	-	THP-1	CN119654316A	PGDB_A083537	PGDB_C022000	PGDB_AS001945	View
% Inhibition	-	=	70-80	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083547	PGDB_C022000	PGDB_AS001118	View
% Inhibition	-	=	53-60	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083564	PGDB_C022000	PGDB_AS001405	View
% Inhibition	-	=	50-60	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A083573	PGDB_C022000	PGDB_AS000560	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	THP-1	CN119654316A	PGDB_A083859	PGDB_C022000	PGDB_AS000421	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A083870	PGDB_C022000	PGDB_AS000466	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A084035	PGDB_C022000	PGDB_AS002430	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084043	PGDB_C022000	PGDB_AS001023	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084213	PGDB_C022000	PGDB_AS001680	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	A375	CN119654316A	PGDB_A084385	PGDB_C022000	PGDB_AS000784	View
% Inhibition	-	=	70-80	%	10 nM	-	-	-	SW620	CN119654316A	PGDB_A084735	PGDB_C022000	PGDB_AS001871	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A084914	PGDB_C022000	PGDB_AS002350	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085064	PGDB_C022000	PGDB_AS000017	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085510	PGDB_C022000	PGDB_AS000660	View

Rows per pagePage 1 of 1 · 18 recordsGo to page