PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CN1CCC(C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)(c2ccc(F)cc2)CC1

Compound summary

Compound IDPGDB_C020308

FormulaC25H26Cl2FN3O3

Molecular weight506.405

InChIKeyXGDLHZYDMNPGJE-UHFFFAOYSA-N

Physicochemical properties

Exact mass505.1335

RDKit cLogP3.93

TPSA78.5

HBD / HBA2 / 4

Rotatable bonds5

Heavy atoms34

Hetero atoms9

Rings / aromatic4 / 2

Fraction Csp30.4

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	=	71	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A012506	PGDB_C020308	PGDB_AS002061	View
Dmax	-	=	94	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A025532	PGDB_C020308	PGDB_AS002061	View
Dmax	-	>	50	%	Concentration context: various concentrations	24 h	-	-	CAL-51	KR20260041885A	PGDB_A032765	PGDB_C020308	PGDB_AS000078	View
EC50	-	=	0.02	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A036554	PGDB_C020308	PGDB_AS001033	View
EC50	-	<=	100	nM	-	—	-	-	-	KR20260041885A	PGDB_A036902	PGDB_C020308	PGDB_AS000595	View
EC50	-	=	100-1000	nM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A040165	PGDB_C020308	PGDB_AS000488	View
Dmax	-	>	75	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A040403	PGDB_C020308	PGDB_AS002165	View
DC50	-	=	16	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A045389	PGDB_C020308	PGDB_AS001365	View
DC50	-	<=	100	nM	-	—	-	-	CAL-51	KR20260041885A	PGDB_A056978	PGDB_C020308	PGDB_AS000761	View
DC50	-	=	3	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A057487	PGDB_C020308	PGDB_AS001365	View
EC50	-	=	0.13	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A063050	PGDB_C020308	PGDB_AS001033	View
DC50	-	<	100	nM	-	—	NEK7	CRBN	-	WO2025024521A1	PGDB_A069994	PGDB_C020308	PGDB_AS000280	View

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