PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1nc(C2CCN(Cc3ccc4c(c3)CN(N3CCC(=O)NC3=O)C4=O)CC2)c2c3c(sc2n1)CCCC3

Compound summary

Compound IDPGDB_C014306

FormulaC29H32N6O3S

Molecular weight544.681

InChIKeyUULVAPQVGKSYDC-UHFFFAOYSA-N

Physicochemical properties

Exact mass544.2257

RDKit cLogP4.07

TPSA98.7

HBD / HBA1 / 7

Rotatable bonds4

Heavy atoms39

Hetero atoms10

Rings / aromatic7 / 3

Fraction Csp30.48

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	20-25	%	10 nM	-	-	-	H2228	WO2024245444A1	PGDB_A010709	PGDB_C014306	PGDB_AS001356	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A012855	PGDB_C014306	PGDB_AS002298	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A017870	PGDB_C014306	PGDB_AS001444	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A023366	PGDB_C014306	PGDB_AS000969	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A030280	PGDB_C014306	PGDB_AS000339	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A031861	PGDB_C014306	PGDB_AS001967	View
% Inhibition	-	=	20-25	%	500 nM	-	-	-	H2228	WO2024245444A1	PGDB_A038543	PGDB_C014306	PGDB_AS000051	View
% Inhibition	-	=	20-40	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A040022	PGDB_C014306	PGDB_AS000415	View
% Inhibition	-	=	20-40	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A044751	PGDB_C014306	PGDB_AS001605	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A054831	PGDB_C014306	PGDB_AS001137	View
% Inhibition	-	=	18-25	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A058549	PGDB_C014306	PGDB_AS002156	View
% Inhibition	-	=	25-40	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A067996	PGDB_C014306	PGDB_AS002131	View

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