PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CCCN4CCC(N5CCN(c6noc7cc(F)ccc67)CC5)C(F)(F)C4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000869

FormulaC32H35F3N6O4

Molecular weight624.664

InChIKeyYTAKMBLCNWLMGD-UHFFFAOYSA-N

Physicochemical properties

Exact mass624.2672

RDKit cLogP3.19

TPSA102.2

HBD / HBA1 / 8

Rotatable bonds7

Heavy atoms45

Hetero atoms13

Rings / aromatic7 / 3

Fraction Csp30.5

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A013753	PGDB_C000869	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A029017	PGDB_C000869	PGDB_AS001449	View
% Inhibition	-	=	30-40	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A033019	PGDB_C000869	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A041195	PGDB_C000869	PGDB_AS001466	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A043145	PGDB_C000869	PGDB_AS002025	View
% Inhibition	-	=	60-70	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A051819	PGDB_C000869	PGDB_AS001462	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A065227	PGDB_C000869	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A077189	PGDB_C000869	PGDB_AS000946	View

Rows per pagePage 1 of 1 · 8 recordsGo to page