PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(csc3CNC(=O)C(=O)c3ccc(C4(C(F)(F)F)CC4)cc3)C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C004433

FormulaC24H20F3N3O5S

Molecular weight519.501

InChIKeyIMGFKGNBOZHWFE-UHFFFAOYSA-N

Physicochemical properties

Exact mass519.1076

RDKit cLogP2.6

TPSA112.7

HBD / HBA2 / 6

Rotatable bonds6

Heavy atoms36

Hetero atoms12

Rings / aromatic5 / 2

Fraction Csp30.38

Formal charge0

Fragments1

Activity compounds and values

Activity records

9 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	>=	80	%	1 uM	3 d	-	-	MOLM-13	US20200369679A1	PGDB_A010690	PGDB_C004433	PGDB_AS001386	View
% Inhibition	-	>=	80	%	1 uM	24 h	-	-	-	US20200369679A1	PGDB_A014786	PGDB_C004433	PGDB_AS000693	View
% Degradation	-	>=	80	%	0.1 uM	-	CSNK1A1	-	-	US20200369679A1	PGDB_A022083	PGDB_C004433	PGDB_AS001805	View
% Degradation	-	>=	80	%	0.1 uM	-	IKZF1	-	-	US20200369679A1	PGDB_A042058	PGDB_C004433	PGDB_AS002410	View
% Inhibition	-	>=	80	%	0.1 uM	1 h	-	-	-	US20200369679A1	PGDB_A058921	PGDB_C004433	PGDB_AS001873	View
% Degradation	-	=	50-80	%	0.1 uM	-	GSPT1	-	-	US20200369679A1	PGDB_A064889	PGDB_C004433	PGDB_AS001685	View
% Inhibition	-	>=	80	%	0.1 uM	24 h	-	-	-	US20200369679A1	PGDB_A068704	PGDB_C004433	PGDB_AS000875	View
% Inhibition	-	>=	80	%	1 uM	1 h	-	-	-	US20200369679A1	PGDB_A071110	PGDB_C004433	PGDB_AS000773	View
% Inhibition	-	=	25-50	%	0.1 uM	1 h	-	-	-	US20200369679A1	PGDB_A077119	PGDB_C004433	PGDB_AS001927	View

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