PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CS(=O)(=O)c1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1

Compound summary

Compound IDPGDB_C002844

FormulaC25H21N3O6S

Molecular weight491.525

InChIKeyLLKDDTHDBICSMU-UHFFFAOYSA-N

Physicochemical properties

Exact mass491.1151

RDKit cLogP2.26

TPSA129.7

HBD / HBA2 / 6

Rotatable bonds4

Heavy atoms35

Hetero atoms10

Rings / aromatic5 / 3

Fraction Csp30.2

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
DC50	-	=	73.1	nM	-	—	IKZF2	-	NCI-H1155	WO2024059107A1	PGDB_A023576	PGDB_C002844	PGDB_AS002270	View
Dmax	-	=	95.1	%	-	72 h	IKZF2	-	NCI-H1155	WO2024059107A1	PGDB_A024302	PGDB_C002844	PGDB_AS000259	View
% Degradation	-	=	4.9	%	100 nM	-	IKZF1	-	-	WO2024059107A1	PGDB_A028564	PGDB_C002844	PGDB_AS000707	View
Dmax	-	=	78.9	%	-	-	CSNK1A1	-	-	WO2024059107A1	PGDB_A031463	PGDB_C002844	PGDB_AS002567	View
Dmax	-	=	10.4	%	-	72 h	IKZF1	-	NCI-H1155	WO2024059107A1	PGDB_A040951	PGDB_C002844	PGDB_AS002425	View
% Degradation	-	=	10.6	%	1 uM	-	GSPT1	-	-	WO2024059107A1	PGDB_A047609	PGDB_C002844	PGDB_AS001974	View
% Degradation	-	=	60.2	%	100 nM	-	CSNK1A1	-	-	WO2024059107A1	PGDB_A047872	PGDB_C002844	PGDB_AS000209	View
% Degradation	-	=	87.7	%	1 uM	-	IKZF2	-	-	WO2024059107A1	PGDB_A057434	PGDB_C002844	PGDB_AS000892	View
Dmax	-	=	14.6	%	-	72 h	GSPT1	-	NCI-H1155	WO2024059107A1	PGDB_A059056	PGDB_C002844	PGDB_AS001612	View
% Degradation	-	=	56	%	100 nM	-	IKZF2	-	-	WO2024059107A1	PGDB_A065724	PGDB_C002844	PGDB_AS001414	View
DC50	-	=	21.1	nM	-	—	CSNK1A1	-	NCI-H1155	WO2024059107A1	PGDB_A070805	PGDB_C002844	PGDB_AS002387	View
% Degradation	-	=	74.6	%	1 uM	-	CSNK1A1	-	-	WO2024059107A1	PGDB_A070954	PGDB_C002844	PGDB_AS000685	View
% Degradation	-	=	7	%	1 uM	-	IKZF1	-	-	WO2024059107A1	PGDB_A072648	PGDB_C002844	PGDB_AS000768	View
% Degradation	-	=	7.8	%	100 nM	-	GSPT1	-	-	WO2024059107A1	PGDB_A075960	PGDB_C002844	PGDB_AS002431	View

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