PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2CC3C=C(CN4CCC(c5cccc(Br)c5)CC4)C=CC3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022148

FormulaC25H28BrN3O2S

Molecular weight514.489

InChIKeyUTGSFDVSFGAGBD-UHFFFAOYSA-N

Physicochemical properties

Exact mass513.1086

RDKit cLogP3.81

TPSA52.6

HBD / HBA1 / 4

Rotatable bonds4

Heavy atoms32

Hetero atoms7

Rings / aromatic5 / 1

Fraction Csp30.48

Formal charge0

Fragments1

Activity compounds and values

Activity records

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	30-40	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082069	PGDB_C022148	PGDB_AS001405	View
% Inhibition	-	=	10-20	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A082439	PGDB_C022148	PGDB_AS001289	View
% Inhibition	-	=	50-60	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A082800	PGDB_C022148	PGDB_AS000560	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A083438	PGDB_C022148	PGDB_AS000639	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A083556	PGDB_C022148	PGDB_AS000660	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A083613	PGDB_C022148	PGDB_AS002038	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A083874	PGDB_C022148	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084197	PGDB_C022148	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A084201	PGDB_C022148	PGDB_AS000017	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084243	PGDB_C022148	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A084549	PGDB_C022148	PGDB_AS001323	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A084939	PGDB_C022148	PGDB_AS002430	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A085262	PGDB_C022148	PGDB_AS000121	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085305	PGDB_C022148	PGDB_AS002552	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A085547	PGDB_C022148	PGDB_AS000466	View
% Inhibition	-	=	5-10	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085562	PGDB_C022148	PGDB_AS000053	View

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