PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cn(C(C)(F)F)c(=O)cn1

Compound summary

Compound IDPGDB_C020439

FormulaC22H22Cl2F2N4O4

Molecular weight515.344

InChIKeyLMSNQEBHCGVTKQ-UHFFFAOYSA-N

Physicochemical properties

Exact mass514.0986

RDKit cLogP3.23

TPSA110.2

HBD / HBA2 / 6

Rotatable bonds6

Heavy atoms34

Hetero atoms12

Rings / aromatic3 / 2

Fraction Csp30.41

Formal charge0

Fragments1

Activity compounds and values

Activity records

17 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	=	92	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A007413	PGDB_C020439	PGDB_AS002061	View
EC50	-	=	0.12	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A012954	PGDB_C020439	PGDB_AS001033	View
Dmax	-	>	75	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A013852	PGDB_C020439	PGDB_AS002165	View
EC50	-	=	0.12	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A016195	PGDB_C020439	PGDB_AS001469	View
DC50	-	<	100	nM	-	—	NEK7	CRBN	-	WO2025024521A1	PGDB_A016454	PGDB_C020439	PGDB_AS000280	View
Dmax	-	=	82	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A023172	PGDB_C020439	PGDB_AS001956	View
EC50	-	=	0.12	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A024187	PGDB_C020439	PGDB_AS000405	View
EC50	-	=	0.07	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A024366	PGDB_C020439	PGDB_AS001033	View
DC50	-	=	15	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A031404	PGDB_C020439	PGDB_AS001365	View
DC50	-	=	15	nM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A037256	PGDB_C020439	PGDB_AS000325	View
Dmax	-	=	15	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A037980	PGDB_C020439	PGDB_AS001553	View
DC50	-	=	4	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A048456	PGDB_C020439	PGDB_AS001365	View
Dmax	-	=	82	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A049471	PGDB_C020439	PGDB_AS002224	View
DC50	-	<=	100	nM	-	—	-	-	CAL-51	KR20260041885A	PGDB_A055824	PGDB_C020439	PGDB_AS000761	View
EC50	-	=	100-1000	nM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A075951	PGDB_C020439	PGDB_AS000488	View
Dmax	-	=	82	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A076432	PGDB_C020439	PGDB_AS002061	View
Dmax	-	>	75	%	Concentration context: various concentrations	24 h	-	-	CAL-51	KR20260041885A	PGDB_A077496	PGDB_C020439	PGDB_AS000078	View

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