PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

COC[C@@H]1CN(Cc2cc(F)c3nc(C45CCC(C(C)(C)O)(CC4)CC5)ccc3c2)C[C@H]1Oc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O

Compound summary

Compound IDPGDB_C011214

FormulaC40H47FN4O6

Molecular weight698.836

InChIKeyJHDDITMAWYRWKX-YLRLNEEOSA-N

Physicochemical properties

Exact mass698.348

RDKit cLogP5.02

TPSA121.3

HBD / HBA2 / 8

Rotatable bonds9

Heavy atoms51

Hetero atoms11

Rings / aromatic9 / 3

Fraction Csp30.55

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
EC50	-	=	0.004	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A007187	PGDB_C011214	PGDB_AS001798	View
Ymin	-	=	17.2	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A008334	PGDB_C011214	PGDB_AS001848	View
EC50	-	=	0	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A011389	PGDB_C011214	PGDB_AS001798	View
Ymin	-	=	23.6	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A023165	PGDB_C011214	PGDB_AS001848	View
EC50	-	=	0	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A026606	PGDB_C011214	PGDB_AS002043	View
Ymin	-	=	7.8	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A029049	PGDB_C011214	PGDB_AS000997	View
EC50	-	=	0.063	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A029261	PGDB_C011214	PGDB_AS001832	View
EC50	-	=	0.002	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A038265	PGDB_C011214	PGDB_AS002043	View
Ymin	-	=	30	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A058158	PGDB_C011214	PGDB_AS002525	View
Ymin	-	=	6.8	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A058715	PGDB_C011214	PGDB_AS000997	View
Ymin	-	=	1.7	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A067815	PGDB_C011214	PGDB_AS002525	View
EC50	-	=	0.067	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A076582	PGDB_C011214	PGDB_AS001832	View

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