PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCC(N5CCN(C(c6ccccc6)c6ccccc6)CC5)C(F)(F)C4)c(F)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000754

FormulaC36H38F3N5O3

Molecular weight645.726

InChIKeyOBVWUQKZPMSVKT-UHFFFAOYSA-N

Physicochemical properties

Exact mass645.2927

RDKit cLogP4.2

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms47

Hetero atoms11

Rings / aromatic7 / 3

Fraction Csp30.42

Formal charge0

Fragments1

Activity compounds and values

Activity records

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	<=	2	nM	-	—	-	-	Jurkat	CN120548310A	PGDB_A007355	PGDB_C000754	PGDB_AS000498	View
IC50	-	=	10-20	nM	-	—	-	-	T47D	CN120548310A	PGDB_A007572	PGDB_C000754	PGDB_AS001713	View
IC50	-	=	2-5	nM	-	—	-	-	Kasumi-1	CN120548310A	PGDB_A018173	PGDB_C000754	PGDB_AS001909	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A020466	PGDB_C000754	PGDB_AS000946	View
IC50	-	=	1.5-1.9	uM	-	—	CRBN	CRBN	-	CN120548310A	PGDB_A025285	PGDB_C000754	PGDB_AS000323	View
IC50	-	=	2-5	nM	-	—	-	-	MM.1S	CN120548310A	PGDB_A040688	PGDB_C000754	PGDB_AS000141	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A040952	PGDB_C000754	PGDB_AS001466	View
IC50	-	=	2-5	nM	-	—	-	-	MM.1R	CN120548310A	PGDB_A041001	PGDB_C000754	PGDB_AS002263	View
IC50	-	=	50-100	nM	-	—	-	-	THP-1	CN120548310A	PGDB_A044170	PGDB_C000754	PGDB_AS001412	View
IC50	-	=	10-20	nM	-	—	-	-	VCaP	CN120548310A	PGDB_A051953	PGDB_C000754	PGDB_AS001294	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A055474	PGDB_C000754	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A056474	PGDB_C000754	PGDB_AS001655	View
IC50	-	=	2-5	nM	-	—	-	-	Hep3B2.1-7	CN120548310A	PGDB_A056712	PGDB_C000754	PGDB_AS001217	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A069478	PGDB_C000754	PGDB_AS001449	View
IC50	-	<=	2	nM	-	—	-	-	CCRF-CEM	CN120548310A	PGDB_A076654	PGDB_C000754	PGDB_AS000628	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A077640	PGDB_C000754	PGDB_AS002025	View

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