PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCN(N2C(=O)c3ccc(CN4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000787

FormulaC29H27Cl2F2N5O4

Molecular weight618.468

InChIKeyQZAPLJSNKTUCNP-UHFFFAOYSA-N

Physicochemical properties

Exact mass617.1408

RDKit cLogP4.45

TPSA93.3

HBD / HBA1 / 6

Rotatable bonds5

Heavy atoms42

Hetero atoms13

Rings / aromatic6 / 2

Fraction Csp30.38

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A011815	PGDB_C000787	PGDB_AS000296	View
% Inhibition	-	=	50-60	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A014888	PGDB_C000787	PGDB_AS000125	View
% Inhibition	-	=	50-60	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A025168	PGDB_C000787	PGDB_AS000584	View
% Inhibition	-	=	50-60	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A026077	PGDB_C000787	PGDB_AS001714	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A054661	PGDB_C000787	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A056350	PGDB_C000787	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A058316	PGDB_C000787	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A060370	PGDB_C000787	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A065317	PGDB_C000787	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A072929	PGDB_C000787	PGDB_AS001466	View

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