PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2C(=O)c3cccc4c(Cc5ccc(CN6CCN(C(=O)c7ccnc(-n8ccnc8)n7)CC6)cc5)ccc2c34)C(=O)N1

Compound summary

Compound IDPGDB_C025601

FormulaC36H32N8O4

Molecular weight640.704

InChIKeyKNFLJXNJLYKJEV-UHFFFAOYSA-N

Physicochemical properties

Exact mass640.2547

RDKit cLogP3.13

TPSA133.6

HBD / HBA1 / 9

Rotatable bonds7

Heavy atoms48

Hetero atoms12

Rings / aromatic8 / 5

Fraction Csp30.25

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
DC50	-	=	0.23	nM	-	—	IKZF1	-	NCI-H929	CA3286762A1	PGDB_A018532	PGDB_C025601	PGDB_AS002338	View
Dmax	-	=	68.4	%	Concentration series: 1600 nM, 400 nM, 100 nM, 25 nM, 6.25 nM, 1.56 nM, 0.39 nM, 0.1 nM	24 h	IKZF1	-	NCI-H929	CA3286762A1	PGDB_A031892	PGDB_C025601	PGDB_AS000833	View
DC50	-	=	0.12	nM	-	—	IKZF3	-	NCI-H929	CA3286762A1	PGDB_A033768	PGDB_C025601	PGDB_AS000521	View
DC50	-	=	0.23	nM	-	—	-	-	NCI-H929	EP4685141A1	PGDB_A037144	PGDB_C025601	PGDB_AS001024	View
DC50	-	=	0.12	nM	-	—	-	-	NCI-H929	EP4685141A1	PGDB_A046148	PGDB_C025601	PGDB_AS000575	View
IC50	-	=	0.06	nM	-	—	-	-	NCI-H929	EP4685141A1	PGDB_A055024	PGDB_C025601	PGDB_AS001501	View
Dmax	-	=	68.4	%	Concentration series: 1600 nM, 400 nM, 100 nM, 25 nM, 6.25 nM, 1.56 nM, 0.39 nM, 0.1 nM	24 h	-	-	NCI-H929	EP4685141A1	PGDB_A058075	PGDB_C025601	PGDB_AS000327	View
Dmax	-	=	73.8	%	Concentration series: 1600 nM, 400 nM, 100 nM, 25 nM, 6.25 nM, 1.56 nM, 0.39 nM, 0.1 nM	24 h	IKZF3	-	NCI-H929	CA3286762A1	PGDB_A060010	PGDB_C025601	PGDB_AS001097	View
IC50	-	=	0.06	nM	-	—	-	-	NCI-H929	CA3286762A1	PGDB_A069199	PGDB_C025601	PGDB_AS001402	View
Dmax	-	=	73.8	%	Concentration series: 1600 nM, 400 nM, 100 nM, 25 nM, 6.25 nM, 1.56 nM, 0.39 nM, 0.1 nM	24 h	-	-	NCI-H929	EP4685141A1	PGDB_A069460	PGDB_C025601	PGDB_AS002256	View

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