PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4C5CCC4CN(C(c4ccccc4)c4ccccc4)C5)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022048

FormulaC33H34N4O2S

Molecular weight550.728

InChIKeyWWBIUGCGQBTJQT-UHFFFAOYSA-N

Physicochemical properties

Exact mass550.2402

RDKit cLogP4.42

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms40

Hetero atoms7

Rings / aromatic7 / 3

Fraction Csp30.36

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A082242	PGDB_C022048	PGDB_AS000660	View
% Inhibition	-	=	50-60	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082262	PGDB_C022048	PGDB_AS000639	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082549	PGDB_C022048	PGDB_AS001323	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A082579	PGDB_C022048	PGDB_AS000466	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A082745	PGDB_C022048	PGDB_AS000017	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A083747	PGDB_C022048	PGDB_AS001023	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083936	PGDB_C022048	PGDB_AS000053	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A084687	PGDB_C022048	PGDB_AS002430	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084733	PGDB_C022048	PGDB_AS002552	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A085021	PGDB_C022048	PGDB_AS001680	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085427	PGDB_C022048	PGDB_AS000042	View
% Inhibition	-	=	30-40	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085749	PGDB_C022048	PGDB_AS001405	View

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