PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CCCN4CCC(N5CCN(C(c6ccccc6)c6ccccc6)CC5)CC4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000829

FormulaC38H45N5O3

Molecular weight619.81

InChIKeyZRWBOTAZEHIWLO-UHFFFAOYSA-N

Physicochemical properties

Exact mass619.3522

RDKit cLogP4.25

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds9

Heavy atoms46

Hetero atoms8

Rings / aromatic7 / 3

Fraction Csp30.45

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-53	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A008317	PGDB_C000829	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A010731	PGDB_C000829	PGDB_AS001449	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A012016	PGDB_C000829	PGDB_AS001462	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A024940	PGDB_C000829	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A059319	PGDB_C000829	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A064627	PGDB_C000829	PGDB_AS001466	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A076486	PGDB_C000829	PGDB_AS002025	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A077750	PGDB_C000829	PGDB_AS000102	View

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