PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(C3CCN(CCc4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000814

FormulaC39H48ClF2N5O3

Molecular weight708.294

InChIKeyMFBBLBHHJXADRR-UHFFFAOYSA-N

Physicochemical properties

Exact mass707.3414

RDKit cLogP5.63

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds8

Heavy atoms50

Hetero atoms11

Rings / aromatic7 / 2

Fraction Csp30.56

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A009977	PGDB_C000814	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A011968	PGDB_C000814	PGDB_AS000946	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A016712	PGDB_C000814	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A020318	PGDB_C000814	PGDB_AS002025	View
% Inhibition	-	=	60-70	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A034819	PGDB_C000814	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A056619	PGDB_C000814	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A062220	PGDB_C000814	PGDB_AS001466	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A073267	PGDB_C000814	PGDB_AS001462	View

Rows per pagePage 1 of 1 · 8 recordsGo to page