PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(C(=O)N2CCN(C3CCN(Cc4cc(F)c5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000802

FormulaC38H43ClF3N5O4

Molecular weight726.24

InChIKeyVQRKOANRURSPQE-UHFFFAOYSA-N

Physicochemical properties

Exact mass725.2956

RDKit cLogP5.26

TPSA93.3

HBD / HBA1 / 6

Rotatable bonds6

Heavy atoms51

Hetero atoms13

Rings / aromatic7 / 2

Fraction Csp30.53

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	IKZF1	-	-	CN120548310A	PGDB_A008706	PGDB_C000802	PGDB_AS000946	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A018327	PGDB_C000802	PGDB_AS001462	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A028572	PGDB_C000802	PGDB_AS000102	View
% Inhibition	-	=	40-53	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A033306	PGDB_C000802	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A041077	PGDB_C000802	PGDB_AS001655	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A044160	PGDB_C000802	PGDB_AS001466	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A062592	PGDB_C000802	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A067188	PGDB_C000802	PGDB_AS001449	View

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