PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1sc2ncnc(C3CCN(Cc4ccc5c(c4)CN(N4CCC(=O)NC4=O)C5=O)CC3)c2c1C

Compound summary

Compound IDPGDB_C014270

FormulaC26H28N6O3S

Molecular weight504.616

InChIKeyIBGVPDWILMUAOD-UHFFFAOYSA-N

Physicochemical properties

Exact mass504.1944

RDKit cLogP3.5

TPSA98.7

HBD / HBA1 / 7

Rotatable bonds4

Heavy atoms36

Hetero atoms10

Rings / aromatic6 / 3

Fraction Csp30.42

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	10-18	%	500 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A019527	PGDB_C014270	PGDB_AS000199	View
% Inhibition	-	=	25-30	%	500 nM	-	-	-	H2228	WO2024245444A1	PGDB_A035034	PGDB_C014270	PGDB_AS000051	View
% Inhibition	-	=	10-15	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A035300	PGDB_C014270	PGDB_AS000415	View
% Inhibition	-	=	5-10	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A039693	PGDB_C014270	PGDB_AS002156	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A041907	PGDB_C014270	PGDB_AS002298	View
% Inhibition	-	=	10-15	%	10 nM	-	-	-	H2228	WO2024245444A1	PGDB_A048245	PGDB_C014270	PGDB_AS001356	View
% Inhibition	-	=	1-5	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A055015	PGDB_C014270	PGDB_AS001605	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A057891	PGDB_C014270	PGDB_AS001137	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A058940	PGDB_C014270	PGDB_AS000969	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A059954	PGDB_C014270	PGDB_AS001967	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A061583	PGDB_C014270	PGDB_AS000339	View
% Inhibition	-	=	18-25	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A062939	PGDB_C014270	PGDB_AS002131	View
% Inhibition	-	=	18-25	%	10 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A063292	PGDB_C014270	PGDB_AS001519	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A067755	PGDB_C014270	PGDB_AS001444	View

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