PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

C[C@](O)(CNc1ccc(C#N)c(-c2ccccc2)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

Compound summary

Compound IDPGDB_C026001

FormulaC25H19F3N4O2

Molecular weight464.447

InChIKeyXZOSBZWNIIIHJO-DEOSSOPVSA-N

Physicochemical properties

Exact mass464.146

RDKit cLogP4.92

TPSA108.9

HBD / HBA3 / 5

Rotatable bonds6

Heavy atoms34

Hetero atoms9

Rings / aromatic3 / 3

Fraction Csp30.16

Formal charge0

Fragments1

Activity compounds and values

Activity records

29 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Ymin	-	=	34.4	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A011471	PGDB_C026001	PGDB_AS002525	View
IC50	-	>	1000	nM	-	—	-	-	-	JP2018513179A	PGDB_A017543	PGDB_C026001	PGDB_AS000864	View
% Degradation	-	<	30	%	1 uM	24 h	SMARCA4	-	HeLa	WO2025101944	PGDB_A017748	PGDB_C026001	PGDB_AS002120	View
Ymin	-	=	10.2	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A021020	PGDB_C026001	PGDB_AS000997	View
EC50	-	>	1000	nM	-	—	-	-	-	JP2018513179A	PGDB_A024223	PGDB_C026001	PGDB_AS000523	View
DC50	-	=	9	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A025329	PGDB_C026001	PGDB_AS001365	View
% Degradation	-	<	30	%	1 uM	24 h	SMARCA2	-	HeLa	WO2025101944	PGDB_A029278	PGDB_C026001	PGDB_AS001961	View
% Inhibition	-	=	48.3	%	1 uM	-	-	-	-	JP2018513179A	PGDB_A029923	PGDB_C026001	PGDB_AS000345	View
Emax	-	=	26.8	%	-	-	-	-	-	JP2018513179A	PGDB_A031447	PGDB_C026001	PGDB_AS000006	View
IC50	-	=	20.5	nM	-	—	-	-	-	JP2018513179A	PGDB_A033797	PGDB_C026001	PGDB_AS000680	View
EC50	-	=	0.006	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A035311	PGDB_C026001	PGDB_AS002043	View
% Inhibition	-	=	85.6	%	1 uM	-	-	-	-	JP2018513179A	PGDB_A035879	PGDB_C026001	PGDB_AS001050	View
Kd	-	=	0.002	uM	-	—	CRBN	CRBN	-	EP3556760A1	PGDB_A036296	PGDB_C026001	PGDB_AS000988	View
Kd	-	=	0.026	uM	-	—	CRBN	CRBN	-	CN112566886A	PGDB_A040192	PGDB_C026001	PGDB_AS000393	View
Kd	-	=	15.6	uM	-	—	-	-	-	US20230142739A1	PGDB_A042108	PGDB_C026001	PGDB_AS000811	View
Emax	-	=	20.6	%	-	-	-	-	-	JP2018513179A	PGDB_A045162	PGDB_C026001	PGDB_AS000156	View
IC50	-	=	79.1	nM	-	—	-	-	-	JP2018513179A	PGDB_A046486	PGDB_C026001	PGDB_AS000830	View
EC50	-	>	1000	nM	-	—	-	-	-	JP2018513179A	PGDB_A046881	PGDB_C026001	PGDB_AS002549	View
EC50	-	=	0.11	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A053805	PGDB_C026001	PGDB_AS001033	View
EC50	-	=	0.063	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A055138	PGDB_C026001	PGDB_AS001832	View

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