PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1

Compound summary

Compound IDPGDB_C015982

FormulaC36H34N8O4

Molecular weight642.72

InChIKeyURGPJVBVQJGGKU-UHFFFAOYSA-N

Physicochemical properties

Exact mass642.2703

RDKit cLogP4.47

TPSA148.6

HBD / HBA2 / 10

Rotatable bonds7

Heavy atoms48

Hetero atoms12

Rings / aromatic8 / 5

Fraction Csp30.28

Formal charge0

Fragments1

Activity compounds and values

Activity records

13 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	<=	50	nM	-	—	-	-	Jurkat	CN116239566A	PGDB_A009019	PGDB_C015982	PGDB_AS000615	View
IC50	-	<	50	nM	-	—	BTK	-	VCaP	CN116239566A	PGDB_A019853	PGDB_C015982	PGDB_AS001439	View
IC50	-	<	50	nM	-	—	BTK	-	MDA-MB-231	CN116239566A	PGDB_A026777	PGDB_C015982	PGDB_AS001770	View
IC50	-	<	50	nM	-	—	BTK	-	THP-1	CN116239566A	PGDB_A030154	PGDB_C015982	PGDB_AS000486	View
IC50	-	<	50	nM	-	—	BTK	CRBN	22Rv1	CN116239566A	PGDB_A038115	PGDB_C015982	PGDB_AS001253	View
IC50	-	<	50	nM	-	—	BTK	-	MM.1S	CN116239566A	PGDB_A041666	PGDB_C015982	PGDB_AS002551	View
IC50	-	<	50	nM	-	—	BTK	-	Kasumi-1	CN116239566A	PGDB_A048859	PGDB_C015982	PGDB_AS000510	View
IC50	-	<=	50	nM	-	—	-	-	CAL-62	CN116239566A	PGDB_A052741	PGDB_C015982	PGDB_AS001502	View
IC50	-	<=	50	nM	-	—	-	-	MM.1R	CN116239566A	PGDB_A054573	PGDB_C015982	PGDB_AS002529	View
IC50	-	<	50	nM	-	—	BTK	-	JeKo-1	CN116239566A	PGDB_A056667	PGDB_C015982	PGDB_AS000420	View
IC50	-	<	50	nM	-	—	BTK	CRBN	Mino	CN116239566A	PGDB_A062364	PGDB_C015982	PGDB_AS000540	View
IC50	-	<	50	nM	-	—	BTK	-	MV-4-11	CN116239566A	PGDB_A064070	PGDB_C015982	PGDB_AS000080	View
IC50	-	<	50	nM	-	—	BTK	-	NCI-H1975	CN116239566A	PGDB_A072032	PGDB_C015982	PGDB_AS000844	View

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