PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCN(N2Cc3cc(CN4CCN(c5ncnc6sc(Br)cc56)CC4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C014265

FormulaC23H22BrN7O3S

Molecular weight556.446

InChIKeyQGGLYSLKXIKTEC-UHFFFAOYSA-N

Physicochemical properties

Exact mass555.0688

RDKit cLogP2.59

TPSA102

HBD / HBA1 / 8

Rotatable bonds4

Heavy atoms35

Hetero atoms12

Rings / aromatic6 / 3

Fraction Csp30.35

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A021211	PGDB_C014265	PGDB_AS000969	View
% Inhibition	-	=	5-10	%	500 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A025829	PGDB_C014265	PGDB_AS000199	View
% Inhibition	-	=	15-18	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A029980	PGDB_C014265	PGDB_AS002156	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A034424	PGDB_C014265	PGDB_AS002298	View
% Inhibition	-	=	18-25	%	10 nM	-	-	-	MV-4-11	WO2024245444A1	PGDB_A037935	PGDB_C014265	PGDB_AS001519	View
% Inhibition	-	=	20-40	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A039116	PGDB_C014265	PGDB_AS000415	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A040138	PGDB_C014265	PGDB_AS001967	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A052917	PGDB_C014265	PGDB_AS000339	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A056935	PGDB_C014265	PGDB_AS001137	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A063190	PGDB_C014265	PGDB_AS001444	View
% Inhibition	-	=	20-40	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A072478	PGDB_C014265	PGDB_AS001605	View
% Inhibition	-	=	15-18	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A077820	PGDB_C014265	PGDB_AS002131	View

Rows per pagePage 1 of 1 · 12 recordsGo to page