PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3ccc(CN4CCC(N5CCN(c6noc7cc(F)ccc67)CC5)C(F)(F)C4)cc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C000862

FormulaC30H31F3N6O3S

Molecular weight612.678

InChIKeyZAOZTCDTTIIOCS-UHFFFAOYSA-N

Physicochemical properties

Exact mass612.213

RDKit cLogP3.29

TPSA85.2

HBD / HBA1 / 8

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	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A012670	PGDB_C000862	PGDB_AS001466	View
% Inhibition	-	=	32-42	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A014958	PGDB_C000862	PGDB_AS000332	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A024857	PGDB_C000862	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A025718	PGDB_C000862	PGDB_AS000102	View
% Inhibition	-	=	50-60	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A037348	PGDB_C000862	PGDB_AS001316	View
% Inhibition	-	=	60-70	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A039470	PGDB_C000862	PGDB_AS001462	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A045753	PGDB_C000862	PGDB_AS002025	View
% Inhibition	-	=	30-40	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A047749	PGDB_C000862	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A051798	PGDB_C000862	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A052514	PGDB_C000862	PGDB_AS001449	View

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