PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(C(=O)N2CCN(C3CCN(Cc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000804

FormulaC38H44ClF2N5O4

Molecular weight708.25

InChIKeyMLJWTEFSPFNVRK-UHFFFAOYSA-N

Physicochemical properties

Exact mass707.305

RDKit cLogP5.12

TPSA93.3

HBD / HBA1 / 6

Rotatable bonds6

Heavy atoms50

Hetero atoms12

Rings / aromatic7 / 2

Fraction Csp30.53

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A007035	PGDB_C000804	PGDB_AS000584	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A011809	PGDB_C000804	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A021482	PGDB_C000804	PGDB_AS000946	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A025489	PGDB_C000804	PGDB_AS001462	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A027190	PGDB_C000804	PGDB_AS001466	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A029651	PGDB_C000804	PGDB_AS000102	View
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A042368	PGDB_C000804	PGDB_AS001320	View
% Inhibition	-	=	20-30	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A042690	PGDB_C000804	PGDB_AS002000	View
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A043152	PGDB_C000804	PGDB_AS000125	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A055207	PGDB_C000804	PGDB_AS001655	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A064808	PGDB_C000804	PGDB_AS002025	View
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A070269	PGDB_C000804	PGDB_AS000157	View

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