PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C#N)cc1

Compound summary

Compound IDPGDB_C011112

FormulaC20H17F3N4O2

Molecular weight402.376

InChIKeyMJVPLKBSIJNKDH-IBGZPJMESA-N

Physicochemical properties

Exact mass402.1304

RDKit cLogP3.27

TPSA100.2

HBD / HBA2 / 5

Rotatable bonds5

Heavy atoms29

Hetero atoms9

Rings / aromatic2 / 2

Fraction Csp30.25

Formal charge0

Fragments1

Activity compounds and values

Activity records

22 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
DC50	-	=	66.06934480075964	nM	-	—	CDK2	-	HEK293T	WO2026064643A1	PGDB_A000319	PGDB_C011112	PGDB_AS001728	View
Dmax	-	=	49.2	%	10 uM	-	CDK2	-	HEK293T	WO2026064643A1	PGDB_A004371	PGDB_C011112	PGDB_AS000752	View
% Degradation	-	=	30-70	%	1 uM	24 h	SMARCA4	-	HeLa	WO2025101944	PGDB_A008970	PGDB_C011112	PGDB_AS002120	View
Ymin	-	=	25.6	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A010173	PGDB_C011112	PGDB_AS001848	View
EC50	-	=	0.0274	uM	-	—	WEE1	-	LentiX-oeWEE1-ePL	WO2026030657A1	PGDB_A016766	PGDB_C011112	PGDB_AS000951	View
EC50	-	=	0.002	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A017793	PGDB_C011112	PGDB_AS001798	View
% Inhibition	-	=	94.8	%	1 uM	-	-	-	-	JP2018513179A	PGDB_A020215	PGDB_C011112	PGDB_AS001284	View
DC50	-	<	0.5	uM	-	—	SMARCA4	-	HeLa	WO2025101944	PGDB_A022569	PGDB_C011112	PGDB_AS000431	View
EC50	-	=	0.005	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A026883	PGDB_C011112	PGDB_AS002043	View
Ymin	-	=	95.18	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2026030657A1	PGDB_A028634	PGDB_C011112	PGDB_AS000093	View
EC50	-	=	0.33	uM	-	—	WEE1	-	MKN45	WO2026030657A1	PGDB_A032605	PGDB_C011112	PGDB_AS002574	View
EC50	-	=	0.02	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A034491	PGDB_C011112	PGDB_AS001033	View
Ymin	-	=	74.47	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	LentiX-oeWEE1-ePL	WO2026030657A1	PGDB_A037426	PGDB_C011112	PGDB_AS000656	View
IC50	-	=	6	nM	-	—	-	-	-	JP2018513179A	PGDB_A046314	PGDB_C011112	PGDB_AS000680	View
% Degradation	-	=	30-70	%	1 uM	24 h	SMARCA2	-	HeLa	WO2025101944	PGDB_A048749	PGDB_C011112	PGDB_AS001961	View
Ymin	-	=	13.2	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A050316	PGDB_C011112	PGDB_AS000997	View
DC50	-	<	0.5	uM	-	—	SMARCA2	-	HeLa	WO2025101944	PGDB_A051685	PGDB_C011112	PGDB_AS000900	View
Ymin	-	=	47.2	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A052770	PGDB_C011112	PGDB_AS002525	View
DC50	-	=	0.1	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A054262	PGDB_C011112	PGDB_AS001365	View
EC50	-	=	0.045	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A062370	PGDB_C011112	PGDB_AS001832	View

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