PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCN(N2Cc3cc(CN4CCC(N5CCC(c6noc7cc(F)ccc67)CC5)C(F)(F)C4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000822

FormulaC30H31F3N6O4

Molecular weight596.61

InChIKeyQZBUJWJVNVJHOO-UHFFFAOYSA-N

Physicochemical properties

Exact mass596.2359

RDKit cLogP3.87

TPSA102.2

HBD / HBA1 / 7

Rotatable bonds5

Heavy atoms43

Hetero atoms13

Rings / aromatic7 / 3

Fraction Csp30.47

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A008225	PGDB_C000822	PGDB_AS001449	View
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A009490	PGDB_C000822	PGDB_AS000125	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A011490	PGDB_C000822	PGDB_AS000102	View
% Inhibition	-	=	50-60	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A029874	PGDB_C000822	PGDB_AS000584	View
% Inhibition	-	=	30-40	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A035801	PGDB_C000822	PGDB_AS001714	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A042796	PGDB_C000822	PGDB_AS001655	View
% Inhibition	-	=	50-60	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A044823	PGDB_C000822	PGDB_AS000296	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A050562	PGDB_C000822	PGDB_AS001466	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A053727	PGDB_C000822	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A071260	PGDB_C000822	PGDB_AS000946	View

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