PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CCN4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000848

FormulaC31H32Cl2F2N4O3

Molecular weight617.524

InChIKeyKRZYMGYXTJXUQZ-UHFFFAOYSA-N

Physicochemical properties

Exact mass616.182

RDKit cLogP4.8

TPSA73

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms42

Hetero atoms11

Rings / aromatic6 / 2

Fraction Csp30.45

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A014078	PGDB_C000848	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A027818	PGDB_C000848	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A035289	PGDB_C000848	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A053558	PGDB_C000848	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A056936	PGDB_C000848	PGDB_AS001466	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A060406	PGDB_C000848	PGDB_AS000946	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A066229	PGDB_C000848	PGDB_AS001462	View
% Inhibition	-	=	30-40	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A070679	PGDB_C000848	PGDB_AS002000	View

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