PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(C3CCN(Cc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000743

FormulaC38H45ClF3N5O3

Molecular weight712.257

InChIKeyWIPSVGSZRRXUHV-UHFFFAOYSA-N

Physicochemical properties

Exact mass711.3163

RDKit cLogP5.73

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms50

Hetero atoms12

Rings / aromatic7 / 2

Fraction Csp30.55

Formal charge0

Fragments1

Activity compounds and values

Activity records

18 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	50-60	%	10 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A008474	PGDB_C000743	PGDB_AS000332	View
% Inhibition	-	=	70-80	%	500 nM	-	-	-	SW620	CN120548310A	PGDB_A009027	PGDB_C000743	PGDB_AS001503	View
% Inhibition	-	=	53-60	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A009157	PGDB_C000743	PGDB_AS001462	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	JeKo-1	CN120548310A	PGDB_A011174	PGDB_C000743	PGDB_AS001869	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A015783	PGDB_C000743	PGDB_AS001449	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A016169	PGDB_C000743	PGDB_AS001445	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MM.1S	CN120548310A	PGDB_A026414	PGDB_C000743	PGDB_AS001316	View
% Inhibition	-	=	50-60	%	10 nM	-	-	-	SW620	CN120548310A	PGDB_A027452	PGDB_C000743	PGDB_AS001642	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A041212	PGDB_C000743	PGDB_AS000102	View
% Inhibition	-	=	60-70	%	10 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A042243	PGDB_C000743	PGDB_AS001814	View
% Inhibition	-	=	50-60	%	500 nM	96 h	-	-	MCF-7	CN120548310A	PGDB_A043086	PGDB_C000743	PGDB_AS000977	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	JeKo-1	CN120548310A	PGDB_A044303	PGDB_C000743	PGDB_AS002242	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A051755	PGDB_C000743	PGDB_AS001655	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A053395	PGDB_C000743	PGDB_AS001466	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A053678	PGDB_C000743	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A054167	PGDB_C000743	PGDB_AS002025	View
% Inhibition	-	=	10-20	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A059981	PGDB_C000743	PGDB_AS002000	View
% Inhibition	-	=	70-80	%	500 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A061953	PGDB_C000743	PGDB_AS000553	View

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