PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCN(N2C(=O)c3ccc(CN4CCN(c5ncnc6sccc56)CC4)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C014307

FormulaC23H21N7O4S

Molecular weight491.533

InChIKeyHCKHEBUXQXSGPJ-UHFFFAOYSA-N

Physicochemical properties

Exact mass491.1376

RDKit cLogP1.47

TPSA119

HBD / HBA1 / 9

Rotatable bonds4

Heavy atoms35

Hetero atoms12

Rings / aromatic6 / 3

Fraction Csp30.3

Formal charge0

Fragments1

Activity compounds and values

Activity records

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	15-20	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A010058	PGDB_C014307	PGDB_AS000415	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A011007	PGDB_C014307	PGDB_AS001967	View
% Inhibition	-	=	15-18	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A013987	PGDB_C014307	PGDB_AS002156	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A017483	PGDB_C014307	PGDB_AS000969	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A018492	PGDB_C014307	PGDB_AS000339	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A031446	PGDB_C014307	PGDB_AS001444	View
% Inhibition	-	=	30-42	%	10 nM	-	-	-	MM.1S	WO2024245444A1	PGDB_A037668	PGDB_C014307	PGDB_AS001568	View
% Inhibition	-	=	20-25	%	500 nM	-	-	-	H2228	WO2024245444A1	PGDB_A038763	PGDB_C014307	PGDB_AS000051	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A040587	PGDB_C014307	PGDB_AS001137	View
% Inhibition	-	=	20-25	%	10 nM	-	-	-	H2228	WO2024245444A1	PGDB_A040823	PGDB_C014307	PGDB_AS001356	View
% Inhibition	-	=	60-80	%	500 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A041759	PGDB_C014307	PGDB_AS000199	View
% Inhibition	-	=	15-20	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A046024	PGDB_C014307	PGDB_AS001605	View
% Inhibition	-	=	18-25	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A051738	PGDB_C014307	PGDB_AS002131	View
% Inhibition	-	=	60-80	%	10 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A055826	PGDB_C014307	PGDB_AS001519	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A058414	PGDB_C014307	PGDB_AS002298	View
% Inhibition	-	=	42-60	%	500 nM	-	-	-	MM.1S	WO2024245444A1	PGDB_A062968	PGDB_C014307	PGDB_AS000503	View

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