PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(C3CCN(Cc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000778

FormulaC38H46ClF2N5O3

Molecular weight694.267

InChIKeyXVZCASVXFLIXDJ-UHFFFAOYSA-N

Physicochemical properties

Exact mass693.3257

RDKit cLogP5.59

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms49

Hetero atoms11

Rings / aromatic7 / 2

Fraction Csp30.55

Formal charge0

Fragments1

Activity compounds and values

Activity records

9 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	1-1.5	uM	-	—	CRBN	CRBN	-	CN120548310A	PGDB_A007424	PGDB_C000778	PGDB_AS000323	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A019672	PGDB_C000778	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A029370	PGDB_C000778	PGDB_AS001466	View
% Inhibition	-	=	20-30	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A037066	PGDB_C000778	PGDB_AS000125	View
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A038290	PGDB_C000778	PGDB_AS000584	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A039602	PGDB_C000778	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A053178	PGDB_C000778	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A054362	PGDB_C000778	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A070020	PGDB_C000778	PGDB_AS001449	View

Rows per pagePage 1 of 1 · 9 recordsGo to page