PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCN(N2C(=O)c3ccc(CN4CCN(c5ncnc6sc(-c7ccccc7)cc56)CC4)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C014312

FormulaC29H25N7O4S

Molecular weight567.631

InChIKeyXUIIELGQAWBKJW-UHFFFAOYSA-N

Physicochemical properties

Exact mass567.1689

RDKit cLogP3.13

TPSA119

HBD / HBA1 / 9

Rotatable bonds5

Heavy atoms41

Hetero atoms12

Rings / aromatic7 / 4

Fraction Csp30.24

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A012080	PGDB_C014312	PGDB_AS000969	View
% Inhibition	-	=	15-20	%	10 nM	-	-	-	H2228	WO2024245444A1	PGDB_A021895	PGDB_C014312	PGDB_AS001356	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A023393	PGDB_C014312	PGDB_AS002298	View
% Inhibition	-	=	5-10	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A028207	PGDB_C014312	PGDB_AS001605	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A031086	PGDB_C014312	PGDB_AS001137	View
% Inhibition	-	=	18-25	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A034082	PGDB_C014312	PGDB_AS002131	View
% Inhibition	-	=	10-15	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A036912	PGDB_C014312	PGDB_AS000415	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A042053	PGDB_C014312	PGDB_AS000339	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A042257	PGDB_C014312	PGDB_AS001444	View
% Inhibition	-	=	10-15	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A048891	PGDB_C014312	PGDB_AS002156	View
% Inhibition	-	=	30-40	%	500 nM	-	-	-	H2228	WO2024245444A1	PGDB_A052221	PGDB_C014312	PGDB_AS000051	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A054134	PGDB_C014312	PGDB_AS001967	View

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