PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(Cc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C002489

FormulaC33H38ClFN4O3

Molecular weight593.143

InChIKeyATQOCQFQKUBIPF-UHFFFAOYSA-N

Physicochemical properties

Exact mass592.2616

RDKit cLogP5.02

TPSA73

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms42

Hetero atoms9

Rings / aromatic6 / 2

Fraction Csp30.48

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	5-10	nM	-	—	-	-	MM.1R	WO2024032689A1	PGDB_A014790	PGDB_C002489	PGDB_AS000212	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	GSPT1	-	-	WO2024032689A1	PGDB_A016713	PGDB_C002489	PGDB_AS000668	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	IKZF1	-	-	WO2024032689A1	PGDB_A019870	PGDB_C002489	PGDB_AS002239	View
IC50	-	=	10-50	nM	-	—	-	-	Ramos	WO2024032689A1	PGDB_A023447	PGDB_C002489	PGDB_AS002308	View
IC50	-	<=	5	nM	-	—	-	-	MDA-MB-231	WO2024032689A1	PGDB_A027072	PGDB_C002489	PGDB_AS001269	View
IC50	-	<=	5	nM	-	—	-	-	CCRF-CEM	WO2024032689A1	PGDB_A027614	PGDB_C002489	PGDB_AS001396	View
IC50	-	=	1000-5000	nM	-	—	-	-	TMD8	WO2024032689A1	PGDB_A031637	PGDB_C002489	PGDB_AS001559	View
IC50	-	<=	5	nM	-	—	-	-	Kasumi-1	WO2024032689A1	PGDB_A032073	PGDB_C002489	PGDB_AS001291	View
IC50	-	=	1000-5000	nM	-	—	-	-	SU-DHL-6	WO2024032689A1	PGDB_A046771	PGDB_C002489	PGDB_AS001616	View
IC50	-	=	1.83	uM	-	—	CRBN	CRBN	-	WO2024032689A1	PGDB_A055763	PGDB_C002489	PGDB_AS000095	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	IKZF3	-	-	WO2024032689A1	PGDB_A062214	PGDB_C002489	PGDB_AS000176	View
IC50	-	<=	5	nM	-	—	-	-	MM.1S	WO2024032689A1	PGDB_A063253	PGDB_C002489	PGDB_AS001703	View

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