PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C002491

FormulaC31H31ClN4O3

Molecular weight543.067

InChIKeyIDBBGINXUGUDPF-UHFFFAOYSA-N

Physicochemical properties

Exact mass542.2085

RDKit cLogP4.09

TPSA73

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms39

Hetero atoms8

Rings / aromatic6 / 3

Fraction Csp30.32

Formal charge0

Fragments1

Activity compounds and values

Activity records

15 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	5-10	nM	-	—	-	-	SW620	WO2024032689A1	PGDB_A015619	PGDB_C002491	PGDB_AS001443	View
IC50	-	<=	5	nM	-	—	-	-	Mino	WO2024032689A1	PGDB_A017049	PGDB_C002491	PGDB_AS001319	View
IC50	-	<=	5	nM	-	—	-	-	MM.1S	WO2024032689A1	PGDB_A023380	PGDB_C002491	PGDB_AS001703	View
IC50	-	=	100-500	nM	-	—	-	-	SU-DHL-4	WO2024032689A1	PGDB_A037301	PGDB_C002491	PGDB_AS000541	View
IC50	-	<=	5	nM	-	—	-	-	MM.1R	WO2024032689A1	PGDB_A038125	PGDB_C002491	PGDB_AS000212	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	IKZF3	-	-	WO2024032689A1	PGDB_A044380	PGDB_C002491	PGDB_AS000176	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	GSPT1	-	-	WO2024032689A1	PGDB_A044658	PGDB_C002491	PGDB_AS000668	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	IKZF1	-	-	WO2024032689A1	PGDB_A046212	PGDB_C002491	PGDB_AS002239	View
IC50	-	<=	5	nM	-	—	-	-	Kasumi-1	WO2024032689A1	PGDB_A055144	PGDB_C002491	PGDB_AS001291	View
IC50	-	=	0.77	uM	-	—	CRBN	CRBN	-	WO2024032689A1	PGDB_A057137	PGDB_C002491	PGDB_AS000095	View
IC50	-	=	10-50	nM	-	—	-	-	SU-DHL-6	WO2024032689A1	PGDB_A057746	PGDB_C002491	PGDB_AS001616	View
IC50	-	<=	5	nM	-	—	-	-	CCRF-CEM	WO2024032689A1	PGDB_A063414	PGDB_C002491	PGDB_AS001396	View
IC50	-	<=	5	nM	-	—	-	-	TMD8	WO2024032689A1	PGDB_A067155	PGDB_C002491	PGDB_AS001559	View
IC50	-	<=	5	nM	-	—	-	-	MDA-MB-231	WO2024032689A1	PGDB_A073389	PGDB_C002491	PGDB_AS001269	View
IC50	-	=	5-10	nM	-	—	-	-	Ramos	WO2024032689A1	PGDB_A075263	PGDB_C002491	PGDB_AS002308	View

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