PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCN(N2Cc3cc(CN4CCC(c5ncnc6sc(-c7ccccc7)cc56)CC4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C014271

FormulaC30H28N6O3S

Molecular weight552.66

InChIKeyZGCYLXIAHNMPNQ-UHFFFAOYSA-N

Physicochemical properties

Exact mass552.1944

RDKit cLogP4.55

TPSA98.7

HBD / HBA1 / 7

Rotatable bonds5

Heavy atoms40

Hetero atoms10

Rings / aromatic7 / 4

Fraction Csp30.3

Formal charge0

Fragments1

Activity compounds and values

Activity records

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	25-30	%	500 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A010281	PGDB_C014271	PGDB_AS000199	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A013282	PGDB_C014271	PGDB_AS001444	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A015434	PGDB_C014271	PGDB_AS002298	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A033718	PGDB_C014271	PGDB_AS001967	View
% Inhibition	-	=	30-40	%	500 nM	-	-	-	H2228	WO2024245444A1	PGDB_A034281	PGDB_C014271	PGDB_AS000051	View
% Inhibition	-	=	20-40	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A051888	PGDB_C014271	PGDB_AS001605	View
% Inhibition	-	=	25-40	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A053238	PGDB_C014271	PGDB_AS002156	View
% Inhibition	-	=	30-42	%	10 nM	-	-	-	MM.1S	WO2024245444A1	PGDB_A053710	PGDB_C014271	PGDB_AS001568	View
% Inhibition	-	=	25-30	%	10 nM	-	-	-	H2228	WO2024245444A1	PGDB_A059283	PGDB_C014271	PGDB_AS001356	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A062043	PGDB_C014271	PGDB_AS000339	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A062512	PGDB_C014271	PGDB_AS000969	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A063001	PGDB_C014271	PGDB_AS001519	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A067993	PGDB_C014271	PGDB_AS002131	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A072466	PGDB_C014271	PGDB_AS001137	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A074914	PGDB_C014271	PGDB_AS000415	View
% Inhibition	-	=	42-60	%	500 nM	-	-	-	MM.1S	WO2024245444A1	PGDB_A077875	PGDB_C014271	PGDB_AS000503	View

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