PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(C(=O)N4CCC(N5CCN(c6cccc(Cl)c6Cl)CC5)CC4)cccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000911

FormulaC29H31Cl2N5O4

Molecular weight584.504

InChIKeyCZEMYBABIYZJIW-UHFFFAOYSA-N

Physicochemical properties

Exact mass583.1753

RDKit cLogP3.18

TPSA93.3

HBD / HBA1 / 6

Rotatable bonds4

Heavy atoms40

Hetero atoms11

Rings / aromatic6 / 2

Fraction Csp30.45

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	-	CRBN	CRBN	-	CN120548310A	PGDB_A010008	PGDB_C000911	PGDB_AS002000	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A010999	PGDB_C000911	PGDB_AS001445	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A015683	PGDB_C000911	PGDB_AS001655	View
% Inhibition	-	=	53-60	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A032043	PGDB_C000911	PGDB_AS001462	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A032544	PGDB_C000911	PGDB_AS000946	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A043147	PGDB_C000911	PGDB_AS000102	View
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A044792	PGDB_C000911	PGDB_AS000977	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A053804	PGDB_C000911	PGDB_AS001466	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A054099	PGDB_C000911	PGDB_AS001449	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A057437	PGDB_C000911	PGDB_AS002025	View
% Inhibition	-	=	20-32	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A066610	PGDB_C000911	PGDB_AS000332	View
% Inhibition	-	=	50-60	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A067137	PGDB_C000911	PGDB_AS001316	View

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