PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4CCC(N5CCN(c6noc7cc(F)ccc67)CC5)CC4)cccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000853

FormulaC30H33FN6O4

Molecular weight560.63

InChIKeyKMLXEPJUJOWUAE-UHFFFAOYSA-N

Physicochemical properties

Exact mass560.2547

RDKit cLogP2.51

TPSA102.2

HBD / HBA1 / 8

Rotatable bonds5

Heavy atoms41

Hetero atoms11

Rings / aromatic7 / 3

Fraction Csp30.47

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	10-20	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A007060	PGDB_C000853	PGDB_AS002000	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A008555	PGDB_C000853	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A011281	PGDB_C000853	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A018011	PGDB_C000853	PGDB_AS002025	View
% Inhibition	-	=	40-53	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A049137	PGDB_C000853	PGDB_AS001462	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A053439	PGDB_C000853	PGDB_AS001466	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A056313	PGDB_C000853	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A073846	PGDB_C000853	PGDB_AS000946	View

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