PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCC(N5CCN(c6noc7cc(F)ccc67)CC5)C(F)(F)C4)c(F)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000864

FormulaC30H30F4N6O4

Molecular weight614.6

InChIKeyDIYFZUPGKPVROD-UHFFFAOYSA-N

Physicochemical properties

Exact mass614.2265

RDKit cLogP2.9

TPSA102.2

HBD / HBA1 / 8

Rotatable bonds5

Heavy atoms44

Hetero atoms14

Rings / aromatic7 / 3

Fraction Csp30.47

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	80-100	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A009049	PGDB_C000864	PGDB_AS000332	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A010777	PGDB_C000864	PGDB_AS001466	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A015671	PGDB_C000864	PGDB_AS001445	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A027711	PGDB_C000864	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A028344	PGDB_C000864	PGDB_AS002025	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A031232	PGDB_C000864	PGDB_AS001655	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	SW620	CN120548310A	PGDB_A041354	PGDB_C000864	PGDB_AS001503	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A043853	PGDB_C000864	PGDB_AS001316	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A045668	PGDB_C000864	PGDB_AS001449	View
% Inhibition	-	=	70-80	%	10 nM	-	-	-	SW620	CN120548310A	PGDB_A045960	PGDB_C000864	PGDB_AS001642	View
% Inhibition	-	=	80-100	%	10 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A052828	PGDB_C000864	PGDB_AS001814	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A054316	PGDB_C000864	PGDB_AS000553	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A057076	PGDB_C000864	PGDB_AS000946	View
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A060814	PGDB_C000864	PGDB_AS000977	View

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