PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

COC[C@@H]1CN(Cc2cc(F)c3nc(C4CCC(C(C)(C)O)CC4)ncc3c2)C[C@H]1Oc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O

Compound summary

Compound IDPGDB_C011206

FormulaC37H44FN5O6

Molecular weight673.786

InChIKeyQKWLYKFRKOGQGK-WOBVGPTPSA-N

Physicochemical properties

Exact mass673.3276

RDKit cLogP4.1

TPSA134.2

HBD / HBA2 / 9

Rotatable bonds9

Heavy atoms49

Hetero atoms12

Rings / aromatic7 / 3

Fraction Csp30.54

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Ymin	-	=	27.1	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A009430	PGDB_C011206	PGDB_AS001848	View
Ymin	-	=	8.7	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A011072	PGDB_C011206	PGDB_AS000997	View
Ymin	-	=	7.8	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A015841	PGDB_C011206	PGDB_AS000997	View
EC50	-	=	0	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A026816	PGDB_C011206	PGDB_AS002043	View
EC50	-	=	0.012	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A029460	PGDB_C011206	PGDB_AS001832	View
Ymin	-	=	25.2	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A035518	PGDB_C011206	PGDB_AS002525	View
Ymin	-	=	16.4	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A038674	PGDB_C011206	PGDB_AS002525	View
EC50	-	=	0.001	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A041665	PGDB_C011206	PGDB_AS001798	View
EC50	-	=	0.001	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A051017	PGDB_C011206	PGDB_AS002043	View
EC50	-	=	0.001	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A054230	PGDB_C011206	PGDB_AS001798	View
Ymin	-	=	28	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A056524	PGDB_C011206	PGDB_AS001848	View
EC50	-	=	0.026	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A061360	PGDB_C011206	PGDB_AS001832	View

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