PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CCCN4CCC(N5CCN(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000834

FormulaC31H35Cl2F2N5O3

Molecular weight634.555

InChIKeyOWPJNIIYIYBJNR-UHFFFAOYSA-N

Physicochemical properties

Exact mass633.2085

RDKit cLogP4.22

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms43

Hetero atoms12

Rings / aromatic6 / 2

Fraction Csp30.52

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A010413	PGDB_C000834	PGDB_AS001449	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	SW620	CN120548310A	PGDB_A012289	PGDB_C000834	PGDB_AS001503	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A024094	PGDB_C000834	PGDB_AS001655	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A027471	PGDB_C000834	PGDB_AS000946	View
% Inhibition	-	=	60-70	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A037961	PGDB_C000834	PGDB_AS001316	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A040107	PGDB_C000834	PGDB_AS000102	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	SW620	CN120548310A	PGDB_A042359	PGDB_C000834	PGDB_AS001642	View
% Inhibition	-	=	53-60	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A045647	PGDB_C000834	PGDB_AS001462	View
% Inhibition	-	=	30-40	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A050139	PGDB_C000834	PGDB_AS002000	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A062841	PGDB_C000834	PGDB_AS001466	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A069602	PGDB_C000834	PGDB_AS002025	View
% Inhibition	-	=	20-32	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A076506	PGDB_C000834	PGDB_AS000332	View

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