PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)c(F)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000746

FormulaC30H29Cl2F3N4O3

Molecular weight621.487

InChIKeyMXJURJOOBLQRCN-UHFFFAOYSA-N

Physicochemical properties

Exact mass620.1569

RDKit cLogP4.89

TPSA73

HBD / HBA1 / 5

Rotatable bonds5

Heavy atoms42

Hetero atoms12

Rings / aromatic6 / 2

Fraction Csp30.43

Formal charge0

Fragments1

Activity compounds and values

Activity records

18 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	80-100	%	500 nM	-	-	-	SW620	CN120548310A	PGDB_A013675	PGDB_C000746	PGDB_AS001503	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A019122	PGDB_C000746	PGDB_AS001449	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A020279	PGDB_C000746	PGDB_AS000946	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A024627	PGDB_C000746	PGDB_AS000102	View
% Inhibition	-	=	40-53	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A029794	PGDB_C000746	PGDB_AS001462	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A033931	PGDB_C000746	PGDB_AS002025	View
% Inhibition	-	=	80-100	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A040506	PGDB_C000746	PGDB_AS000332	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A043745	PGDB_C000746	PGDB_AS001655	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A044359	PGDB_C000746	PGDB_AS001466	View
% Inhibition	-	=	70-80	%	500 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A050566	PGDB_C000746	PGDB_AS000977	View
% Inhibition	-	=	80-100	%	10 nM	-	-	-	SW620	CN120548310A	PGDB_A051970	PGDB_C000746	PGDB_AS001642	View
% Inhibition	-	=	100-105	%	10 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A055479	PGDB_C000746	PGDB_AS001814	View
% Inhibition	-	=	20-30	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A056755	PGDB_C000746	PGDB_AS002000	View
% Inhibition	-	=	60-70	%	10 nM	-	-	-	JeKo-1	CN120548310A	PGDB_A060271	PGDB_C000746	PGDB_AS001869	View
% Inhibition	-	=	50-60	%	10 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A061021	PGDB_C000746	PGDB_AS001445	View
% Inhibition	-	=	70-80	%	500 nM	-	-	-	JeKo-1	CN120548310A	PGDB_A070084	PGDB_C000746	PGDB_AS002242	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A070756	PGDB_C000746	PGDB_AS000553	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A072719	PGDB_C000746	PGDB_AS001316	View

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