PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

COCCOc1cc(NC(=O)NCc2ccc3c(C4CCC(=O)NC4=O)coc3c2)cc(Cl)c1C

Compound summary

Compound IDPGDB_C001865

FormulaC25H26ClN3O6

Molecular weight499.951

InChIKeyUSEQRCHYCVHABT-UHFFFAOYSA-N

Physicochemical properties

Exact mass499.151

RDKit cLogP4.26

TPSA118.9

HBD / HBA3 / 6

Rotatable bonds8

Heavy atoms35

Hetero atoms10

Rings / aromatic4 / 3

Fraction Csp30.32

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	99.17	%	-	3 d	GSPT1	-	NCI-H526	WO2023001028A1	PGDB_A010157	PGDB_C001865	PGDB_AS000350	View
DC50	-	=	2.51	nM	-	—	GSPT1	-	HEK293T	WO2023001028A1	PGDB_A012061	PGDB_C001865	PGDB_AS002023	View
% Inhibition	-	=	92.19	%	-	3 d	GSPT1	-	NCI-H1581	WO2023001028A1	PGDB_A018499	PGDB_C001865	PGDB_AS000288	View
IC50	-	=	6.2	nM	-	—	GSPT1	-	NCI-H69	WO2023001028A1	PGDB_A022443	PGDB_C001865	PGDB_AS001964	View
IC50	-	=	5.2	nM	-	—	GSPT1	-	NCI-H1581	WO2023001028A1	PGDB_A022727	PGDB_C001865	PGDB_AS000790	View
% Inhibition	-	=	68.41	%	-	3 d	GSPT1	-	NCI-H69	WO2023001028A1	PGDB_A033799	PGDB_C001865	PGDB_AS002018	View
% Inhibition	-	=	89.45	%	-	3 d	GSPT1	-	DMS114	WO2023001028A1	PGDB_A048359	PGDB_C001865	PGDB_AS001771	View
IC50	-	=	4.7	nM	-	—	GSPT1	-	MDA-MB-231	WO2023001028A1	PGDB_A053784	PGDB_C001865	PGDB_AS001716	View
IC50	-	=	6.1	nM	-	—	GSPT1	-	DMS114	WO2023001028A1	PGDB_A060610	PGDB_C001865	PGDB_AS000425	View
IC50	-	=	0.5	nM	-	—	GSPT1	-	NCI-H526	WO2023001028A1	PGDB_A061635	PGDB_C001865	PGDB_AS001706	View
% Inhibition	-	=	80.7	%	-	3 d	GSPT1	-	MDA-MB-231	WO2023001028A1	PGDB_A062891	PGDB_C001865	PGDB_AS001682	View
% Degradation	-	=	100.32	%	-	18 h	GSPT1	-	HEK293T	WO2023001028A1	PGDB_A072489	PGDB_C001865	PGDB_AS000448	View

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