PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccncc4)CCC3)cc2Cl)C(=O)N1

Compound summary

Compound IDPGDB_C020317

FormulaC22H21Cl2N3O3

Molecular weight446.334

InChIKeyHXEQQCIETRSEQG-UHFFFAOYSA-N

Physicochemical properties

Exact mass445.096

RDKit cLogP3.65

TPSA88.2

HBD / HBA2 / 4

Rotatable bonds5

Heavy atoms30

Hetero atoms8

Rings / aromatic4 / 2

Fraction Csp30.36

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
EC50	-	=	0.14	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A009437	PGDB_C020317	PGDB_AS001033	View
DC50	-	<	100	nM	-	—	NEK7	CRBN	-	WO2025024521A1	PGDB_A011284	PGDB_C020317	PGDB_AS000280	View
DC50	-	<=	100	nM	-	—	-	-	CAL-51	KR20260041885A	PGDB_A024354	PGDB_C020317	PGDB_AS000761	View
DC50	-	=	6	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A025399	PGDB_C020317	PGDB_AS001365	View
EC50	-	=	0.05	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A032424	PGDB_C020317	PGDB_AS001033	View
Dmax	-	>	75	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A036859	PGDB_C020317	PGDB_AS002165	View
DC50	-	=	91	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A042828	PGDB_C020317	PGDB_AS001365	View
Dmax	-	=	62	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A052392	PGDB_C020317	PGDB_AS002061	View
Dmax	-	>	75	%	Concentration context: various concentrations	24 h	-	-	CAL-51	KR20260041885A	PGDB_A054250	PGDB_C020317	PGDB_AS000078	View
Dmax	-	=	78	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A067927	PGDB_C020317	PGDB_AS002061	View
EC50	-	<	100	nM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A071156	PGDB_C020317	PGDB_AS000488	View
EC50	-	<=	100	nM	-	—	-	-	-	KR20260041885A	PGDB_A071901	PGDB_C020317	PGDB_AS000595	View

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