PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CCCN4CCC(N5CCN(c6cccc(Cl)c6Cl)CC5)CC4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000820

FormulaC31H37Cl2N5O3

Molecular weight598.575

InChIKeyJYTFNKSLXKTYEQ-UHFFFAOYSA-N

Physicochemical properties

Exact mass597.2273

RDKit cLogP3.97

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms41

Hetero atoms10

Rings / aromatic6 / 2

Fraction Csp30.52

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A012303	PGDB_C000820	PGDB_AS001714	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A015225	PGDB_C000820	PGDB_AS000946	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A019983	PGDB_C000820	PGDB_AS001462	View
% Inhibition	-	=	53-60	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A042377	PGDB_C000820	PGDB_AS002000	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A045887	PGDB_C000820	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A050547	PGDB_C000820	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A062556	PGDB_C000820	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A070323	PGDB_C000820	PGDB_AS001449	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A071624	PGDB_C000820	PGDB_AS001466	View
% Inhibition	-	=	50-60	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A073296	PGDB_C000820	PGDB_AS000296	View

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