PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(C(=O)N2CCN(C3CCN(Cc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000806

FormulaC38H42ClF2N5O5

Molecular weight722.233

InChIKeyHACUISDVRMXLEN-UHFFFAOYSA-N

Physicochemical properties

Exact mass721.2843

RDKit cLogP4.76

TPSA110.3

HBD / HBA1 / 7

Rotatable bonds6

Heavy atoms51

Hetero atoms13

Rings / aromatic7 / 2

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	IKZF3	-	-	CN120548310A	PGDB_A008740	PGDB_C000806	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A020610	PGDB_C000806	PGDB_AS001449	View
% Inhibition	-	=	53-60	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A038557	PGDB_C000806	PGDB_AS001462	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A048911	PGDB_C000806	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A050662	PGDB_C000806	PGDB_AS001466	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A052036	PGDB_C000806	PGDB_AS001655	View
% Inhibition	-	=	10-20	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A060280	PGDB_C000806	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A071082	PGDB_C000806	PGDB_AS000946	View

Rows per pagePage 1 of 1 · 8 recordsGo to page