PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4CCN(C(=O)C5=C(c6ccc(F)cc6)CCCC5)CC4)cccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022069

FormulaC31H33FN4O3S

Molecular weight560.695

InChIKeyLJDHAOQPGAJISX-UHFFFAOYSA-N

Physicochemical properties

Exact mass560.2257

RDKit cLogP3.79

TPSA73

HBD / HBA1 / 5

Rotatable bonds5

Heavy atoms40

Hetero atoms9

Rings / aromatic6 / 2

Fraction Csp30.42

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	60-80	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A081970	PGDB_C022069	PGDB_AS001323	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082416	PGDB_C022069	PGDB_AS001023	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A082855	PGDB_C022069	PGDB_AS001289	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082856	PGDB_C022069	PGDB_AS000053	View
% Inhibition	-	=	20-30	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083412	PGDB_C022069	PGDB_AS001405	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083980	PGDB_C022069	PGDB_AS002430	View
% Degradation	-	=	0-80	%	-	-	-	-	-	CN119654316A	PGDB_A084100	PGDB_C022069	PGDB_AS000466	View
% Degradation	-	=	80-100	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084690	PGDB_C022069	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084700	PGDB_C022069	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A084959	PGDB_C022069	PGDB_AS000017	View
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A085291	PGDB_C022069	PGDB_AS000560	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085292	PGDB_C022069	PGDB_AS002552	View

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