PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4CCN(c5n[nH]c6cc(F)ccc56)CC4)cccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022231

FormulaC25H25FN6O2S

Molecular weight492.58

InChIKeyVJUJYRVEGYCFFC-UHFFFAOYSA-N

Physicochemical properties

Exact mass492.1744

RDKit cLogP2.32

TPSA84.6

HBD / HBA2 / 6

Rotatable bonds4

Heavy atoms35

Hetero atoms10

Rings / aromatic6 / 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	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A082428	PGDB_C022231	PGDB_AS002430	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082596	PGDB_C022231	PGDB_AS001323	View
% Inhibition	-	=	50-60	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A082790	PGDB_C022231	PGDB_AS002350	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082944	PGDB_C022231	PGDB_AS001023	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083007	PGDB_C022231	PGDB_AS000053	View
% Degradation	-	=	80-100	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A083539	PGDB_C022231	PGDB_AS000660	View
% Inhibition	-	=	53-60	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083672	PGDB_C022231	PGDB_AS001405	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083798	PGDB_C022231	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083923	PGDB_C022231	PGDB_AS000017	View
% Inhibition	-	=	60-70	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A084703	PGDB_C022231	PGDB_AS001118	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084777	PGDB_C022231	PGDB_AS000466	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085598	PGDB_C022231	PGDB_AS002552	View

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