PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1nc(N2CCN(Cc3ccc4c(c3)C(=O)N(N3CCC(=O)NC3=O)C4=O)CC2)c2c3c(sc2n1)CCC3

Compound summary

Compound IDPGDB_C014323

FormulaC27H27N7O4S

Molecular weight545.625

InChIKeyBJLLOXXCCMNFIR-UHFFFAOYSA-N

Physicochemical properties

Exact mass545.1845

RDKit cLogP2.26

TPSA119

HBD / HBA1 / 9

Rotatable bonds4

Heavy atoms39

Hetero atoms12

Rings / aromatic7 / 3

Fraction Csp30.41

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A011010	PGDB_C014323	PGDB_AS001519	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A016170	PGDB_C014323	PGDB_AS000339	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A024699	PGDB_C014323	PGDB_AS001137	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A030900	PGDB_C014323	PGDB_AS001967	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A035465	PGDB_C014323	PGDB_AS000969	View
% Inhibition	-	=	30-42	%	500 nM	-	-	-	MM.1S	WO2024245444A1	PGDB_A039110	PGDB_C014323	PGDB_AS000503	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A047819	PGDB_C014323	PGDB_AS001444	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A053172	PGDB_C014323	PGDB_AS002298	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	MM.1S	WO2024245444A1	PGDB_A058902	PGDB_C014323	PGDB_AS001568	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A068030	PGDB_C014323	PGDB_AS000199	View

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