PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(C(=O)N2CCN(C3CCN(Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000803

FormulaC38H44ClF2N5O4

Molecular weight708.25

InChIKeyDWASVBCJJQLHQG-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

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A009582	PGDB_C000803	PGDB_AS001320	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A014208	PGDB_C000803	PGDB_AS002025	View
% Inhibition	-	=	30-40	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A015892	PGDB_C000803	PGDB_AS000157	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A018439	PGDB_C000803	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A023736	PGDB_C000803	PGDB_AS000946	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A028436	PGDB_C000803	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A040232	PGDB_C000803	PGDB_AS001655	View
% Inhibition	-	=	20-30	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A046101	PGDB_C000803	PGDB_AS001835	View
% Inhibition	-	=	50-60	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A048951	PGDB_C000803	PGDB_AS000296	View
% Inhibition	-	=	40-53	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A050630	PGDB_C000803	PGDB_AS002000	View
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A056463	PGDB_C000803	PGDB_AS000584	View
% Inhibition	-	=	30-40	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A065330	PGDB_C000803	PGDB_AS001714	View
% Inhibition	-	=	30-40	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A067408	PGDB_C000803	PGDB_AS000125	View
% Inhibition	-	=	70-80	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A074386	PGDB_C000803	PGDB_AS001462	View
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A074726	PGDB_C000803	PGDB_AS000202	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A077139	PGDB_C000803	PGDB_AS001466	View

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