PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCN(c5nc(N6CCOCC6)nc6c5SCC6)CC4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C019322

FormulaC28H33N7O4S

Molecular weight563.684

InChIKeyTYCWAJWQILYQPT-UHFFFAOYSA-N

Physicochemical properties

Exact mass563.2315

RDKit cLogP1.04

TPSA111.2

HBD / HBA1 / 10

Rotatable bonds5

Heavy atoms40

Hetero atoms12

Rings / aromatic7 / 2

Fraction Csp30.54

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	<=	0.5	uM	-	—	CRBN	CRBN	-	WO2025016359A1	PGDB_A008705	PGDB_C019322	PGDB_AS001897	View
IC50	-	=	10-50	nM	-	—	IKZF3	-	MOLT-4	WO2025016359A1	PGDB_A011301	PGDB_C019322	PGDB_AS001975	View
IC50	-	=	100-500	nM	-	—	IKZF3	-	H1975	WO2025016359A1	PGDB_A030252	PGDB_C019322	PGDB_AS000939	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2025016359A1	PGDB_A034078	PGDB_C019322	PGDB_AS001760	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2025016359A1	PGDB_A037476	PGDB_C019322	PGDB_AS002547	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2025016359A1	PGDB_A040362	PGDB_C019322	PGDB_AS000593	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2025016359A1	PGDB_A055622	PGDB_C019322	PGDB_AS001647	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2025016359A1	PGDB_A061699	PGDB_C019322	PGDB_AS000700	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2025016359A1	PGDB_A074044	PGDB_C019322	PGDB_AS002465	View
IC50	-	=	50-100	nM	-	—	IKZF3	-	MDA-MB-231	WO2025016359A1	PGDB_A075633	PGDB_C019322	PGDB_AS000537	View

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