PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

COC[C@@H]1CN(Cc2cc(F)c3nc(C4CCCN4C)ccc3c2)C[C@H]1Oc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O

Compound summary

Compound IDPGDB_C011161

FormulaC34H38FN5O5

Molecular weight615.706

InChIKeyKRXLLAXRNVDQGO-CNXRBOTJSA-N

Physicochemical properties

Exact mass615.2857

RDKit cLogP3.43

TPSA104.3

HBD / HBA1 / 8

Rotatable bonds8

Heavy atoms45

Hetero atoms11

Rings / aromatic7 / 3

Fraction Csp30.47

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Ymin	-	=	57.1	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A010679	PGDB_C011161	PGDB_AS002525	View
Ymin	-	=	32.7	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A017075	PGDB_C011161	PGDB_AS001848	View
EC50	-	=	0.001	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A022907	PGDB_C011161	PGDB_AS001798	View
Ymin	-	=	13.9	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A024468	PGDB_C011161	PGDB_AS000997	View
EC50	-	=	0.028	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A026584	PGDB_C011161	PGDB_AS001832	View
EC50	-	=	0.107	uM	-	—	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A037612	PGDB_C011161	PGDB_AS001832	View
EC50	-	=	0.003	uM	-	—	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A038986	PGDB_C011161	PGDB_AS001798	View
EC50	-	=	0.001	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A039018	PGDB_C011161	PGDB_AS002043	View
Ymin	-	=	37.7	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MDA-MB-231	WO2025137053A1	PGDB_A053350	PGDB_C011161	PGDB_AS002525	View
Ymin	-	=	29.6	%	Concentration series: 1 uM, 10 uM	4 h	WEE1	-	293T-LentiXWEE1-ePL	WO2025137053A1	PGDB_A053538	PGDB_C011161	PGDB_AS001848	View
EC50	-	=	0.005	uM	-	—	WEE1	-	MKN45	WO2025137053A1	PGDB_A055025	PGDB_C011161	PGDB_AS002043	View
Ymin	-	=	12.3	%	Concentration series: 1 uM, 10 uM	120 h	WEE1	-	MKN45	WO2025137053A1	PGDB_A073447	PGDB_C011161	PGDB_AS000997	View

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