PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2C(=O)c3ccc(CN4CC=C(c5ncnc6sc(-c7ccccc7)cc56)CC4)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C019469

FormulaC31H25N5O4S

Molecular weight563.639

InChIKeyKBGDQBLRQDEZHX-UHFFFAOYSA-N

Physicochemical properties

Exact mass563.1627

RDKit cLogP4.05

TPSA112.6

HBD / HBA1 / 8

Rotatable bonds5

Heavy atoms41

Hetero atoms10

Rings / aromatic7 / 4

Fraction Csp30.23

Formal charge0

Fragments1

Activity compounds and values

Activity records

15 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2025016359A1	PGDB_A009334	PGDB_C019469	PGDB_AS000593	View
IC50	-	=	10-50	nM	-	—	-	-	MOLT-4	WO2025016359A1	PGDB_A014260	PGDB_C019469	PGDB_AS000277	View
IC50	-	=	500-1000	nM	-	—	-	-	TMD8	WO2025016359A1	PGDB_A018730	PGDB_C019469	PGDB_AS000019	View
IC50	-	=	500-1000	nM	-	—	-	-	SR	WO2025016359A1	PGDB_A021304	PGDB_C019469	PGDB_AS000403	View
IC50	-	=	10-50	nM	-	—	-	-	CCRF-CEM	WO2025016359A1	PGDB_A022214	PGDB_C019469	PGDB_AS001127	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2025016359A1	PGDB_A022549	PGDB_C019469	PGDB_AS002465	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2025016359A1	PGDB_A051518	PGDB_C019469	PGDB_AS001760	View
IC50	-	=	100-500	nM	-	—	-	-	H1975	WO2025016359A1	PGDB_A057077	PGDB_C019469	PGDB_AS000559	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2025016359A1	PGDB_A057363	PGDB_C019469	PGDB_AS002547	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2025016359A1	PGDB_A062185	PGDB_C019469	PGDB_AS001647	View
IC50	-	=	0.5-1	uM	-	—	CRBN	CRBN	-	WO2025016359A1	PGDB_A064750	PGDB_C019469	PGDB_AS001897	View
IC50	-	=	50-100	nM	-	—	-	-	Jurkat	WO2025016359A1	PGDB_A069104	PGDB_C019469	PGDB_AS002351	View
IC50	-	=	50-100	nM	-	—	-	-	MV-4-11	WO2025016359A1	PGDB_A071154	PGDB_C019469	PGDB_AS001504	View
% Degradation	-	>=	0	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2025016359A1	PGDB_A071319	PGDB_C019469	PGDB_AS000700	View
IC50	-	=	100-500	nM	-	—	-	-	MM.1S	WO2025016359A1	PGDB_A072045	PGDB_C019469	PGDB_AS001138	View

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