PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCN(c5ccc(Br)cc5)CC4)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022138

FormulaC24H25BrN4O2S

Molecular weight513.461

InChIKeyMLBRVCHZRUPBCH-UHFFFAOYSA-N

Physicochemical properties

Exact mass512.0882

RDKit cLogP3.07

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds4

Heavy atoms32

Hetero atoms8

Rings / aromatic5 / 2

Fraction Csp30.38

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A081947	PGDB_C022138	PGDB_AS001680	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082149	PGDB_C022138	PGDB_AS001323	View
% Inhibition	-	=	40-53	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082176	PGDB_C022138	PGDB_AS001405	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083067	PGDB_C022138	PGDB_AS000017	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083085	PGDB_C022138	PGDB_AS002430	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A083381	PGDB_C022138	PGDB_AS001023	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084014	PGDB_C022138	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084272	PGDB_C022138	PGDB_AS000466	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084500	PGDB_C022138	PGDB_AS002552	View
% Inhibition	-	=	60-70	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085464	PGDB_C022138	PGDB_AS000639	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085527	PGDB_C022138	PGDB_AS000042	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085677	PGDB_C022138	PGDB_AS000053	View

Rows per pagePage 1 of 1 · 12 recordsGo to page