PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C002487

FormulaC33H39ClN4O3

Molecular weight575.153

InChIKeyWQWLFZCPJQODCS-UHFFFAOYSA-N

Physicochemical properties

Exact mass574.2711

RDKit cLogP4.88

TPSA73

HBD / HBA1 / 5

Rotatable bonds6

Heavy atoms41

Hetero atoms8

Rings / aromatic6 / 2

Fraction Csp30.48

Formal charge0

Fragments1

Activity compounds and values

Activity records

15 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	IKZF1	-	-	WO2024032689A1	PGDB_A009533	PGDB_C002487	PGDB_AS002239	View
IC50	-	=	3.07	uM	-	—	CRBN	CRBN	-	WO2024032689A1	PGDB_A018123	PGDB_C002487	PGDB_AS000095	View
IC50	-	=	24	nM	-	—	-	-	MV-4-11	WO2024032689A1	PGDB_A023156	PGDB_C002487	PGDB_AS000885	View
IC50	-	=	50-100	nM	-	—	-	-	Kasumi-1	WO2024032689A1	PGDB_A026683	PGDB_C002487	PGDB_AS001291	View
IC50	-	=	50-100	nM	-	—	-	-	SW620	WO2024032689A1	PGDB_A029070	PGDB_C002487	PGDB_AS001443	View
IC50	-	=	100-500	nM	-	—	-	-	TMD8	WO2024032689A1	PGDB_A029468	PGDB_C002487	PGDB_AS001559	View
IC50	-	<=	5	nM	-	—	-	-	MM.1S	WO2024032689A1	PGDB_A032134	PGDB_C002487	PGDB_AS001703	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	GSPT1	-	-	WO2024032689A1	PGDB_A035341	PGDB_C002487	PGDB_AS000668	View
IC50	-	=	100-500	nM	-	—	-	-	Ramos	WO2024032689A1	PGDB_A046835	PGDB_C002487	PGDB_AS002308	View
IC50	-	=	10-50	nM	-	—	-	-	CCRF-CEM	WO2024032689A1	PGDB_A050477	PGDB_C002487	PGDB_AS001396	View
IC50	-	=	159.1	nM	-	—	-	-	Daudi	WO2024032689A1	PGDB_A057568	PGDB_C002487	PGDB_AS002481	View
% Degradation	-	>	50	%	Concentration context: 500 nM	24 h	IKZF3	-	-	WO2024032689A1	PGDB_A058792	PGDB_C002487	PGDB_AS000176	View
IC50	-	=	10-50	nM	-	—	-	-	MM.1R	WO2024032689A1	PGDB_A065017	PGDB_C002487	PGDB_AS000212	View
IC50	-	=	50-100	nM	-	—	-	-	MDA-MB-231	WO2024032689A1	PGDB_A065707	PGDB_C002487	PGDB_AS001269	View
IC50	-	=	5-10	nM	-	—	-	-	Mino	WO2024032689A1	PGDB_A073940	PGDB_C002487	PGDB_AS001319	View

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