PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(ccc(CN4CCC(N5CCC(c6noc7cc(F)ccc67)CC5)C(F)(F)C4)c3F)C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000872

FormulaC31H31F4N5O4

Molecular weight613.612

InChIKeyTVRORMIXFIWIBW-UHFFFAOYSA-N

Physicochemical properties

Exact mass613.2312

RDKit cLogP3.96

TPSA99

HBD / HBA1 / 7

Rotatable bonds5

Heavy atoms44

Hetero atoms13

Rings / aromatic7 / 3

Fraction Csp30.48

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A017201	PGDB_C000872	PGDB_AS001449	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A037517	PGDB_C000872	PGDB_AS001466	View
% Inhibition	-	=	70-80	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A049166	PGDB_C000872	PGDB_AS000332	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A057567	PGDB_C000872	PGDB_AS001655	View
% Inhibition	-	=	70-80	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A059203	PGDB_C000872	PGDB_AS001316	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A067149	PGDB_C000872	PGDB_AS000946	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A073659	PGDB_C000872	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A076920	PGDB_C000872	PGDB_AS000102	View

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