PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCN(c6ccnc(-n7ccnc7)n6)CC5)cc4)cccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C025597

FormulaC32H32N8O4

Molecular weight592.66

InChIKeyWMQKFMXWOLOJCF-SANMLTNESA-N

Physicochemical properties

Exact mass592.2547

RDKit cLogP2.32

TPSA125.8

HBD / HBA1 / 10

Rotatable bonds8

Heavy atoms44

Hetero atoms12

Rings / aromatic7 / 4

Fraction Csp30.31

Formal charge0

Fragments1

Activity compounds and values

Activity records

10 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	=	71.4	%	Concentration series: 1600 nM, 400 nM, 100 nM, 25 nM, 6.25 nM, 1.56 nM, 0.39 nM, 0.1 nM	24 h	IKZF3	-	NCI-H929	CA3286762A1	PGDB_A010422	PGDB_C025597	PGDB_AS001097	View
DC50	-	=	0.12	nM	-	—	IKZF3	-	NCI-H929	CA3286762A1	PGDB_A014395	PGDB_C025597	PGDB_AS000521	View
Dmax	-	=	71.4	%	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_A020444	PGDB_C025597	PGDB_AS002256	View
DC50	-	=	0.31	nM	-	—	-	-	NCI-H929	EP4685141A1	PGDB_A021792	PGDB_C025597	PGDB_AS001024	View
DC50	-	=	0.12	nM	-	—	-	-	NCI-H929	EP4685141A1	PGDB_A044865	PGDB_C025597	PGDB_AS000575	View
Dmax	-	=	75.8	%	Concentration series: 1600 nM, 400 nM, 100 nM, 25 nM, 6.25 nM, 1.56 nM, 0.39 nM, 0.1 nM	24 h	IKZF1	-	NCI-H929	CA3286762A1	PGDB_A045394	PGDB_C025597	PGDB_AS000833	View
DC50	-	=	0.31	nM	-	—	IKZF1	-	NCI-H929	CA3286762A1	PGDB_A050550	PGDB_C025597	PGDB_AS002338	View
Dmax	-	=	75.8	%	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_A052443	PGDB_C025597	PGDB_AS000327	View
IC50	-	=	0.03	nM	-	—	-	-	NCI-H929	EP4685141A1	PGDB_A058320	PGDB_C025597	PGDB_AS001501	View
IC50	-	=	0.03	nM	-	—	-	-	NCI-H929	CA3286762A1	PGDB_A073486	PGDB_C025597	PGDB_AS001402	View

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