PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2CC3C=C(CN4CCN(c5cccc(Cl)n5)CC4)C=CC3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022209

FormulaC23H26ClN5O2S

Molecular weight472.014

InChIKeyZKRYUSGUMBCCAA-UHFFFAOYSA-N

Physicochemical properties

Exact mass471.1496

RDKit cLogP2.03

TPSA68.8

HBD / HBA1 / 6

Rotatable bonds4

Heavy atoms32

Hetero atoms9

Rings / aromatic5 / 1

Fraction Csp30.48

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082033	PGDB_C022209	PGDB_AS000053	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A082053	PGDB_C022209	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A082099	PGDB_C022209	PGDB_AS000466	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A082159	PGDB_C022209	PGDB_AS000017	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082602	PGDB_C022209	PGDB_AS001023	View
% Inhibition	-	=	53-60	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083070	PGDB_C022209	PGDB_AS001405	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083097	PGDB_C022209	PGDB_AS002552	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083552	PGDB_C022209	PGDB_AS001680	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083718	PGDB_C022209	PGDB_AS001323	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085121	PGDB_C022209	PGDB_AS000042	View
% Inhibition	-	=	50-60	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085185	PGDB_C022209	PGDB_AS000639	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A085727	PGDB_C022209	PGDB_AS002430	View

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