PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(F)c(S(N)(=O)=O)c(F)c1

Compound summary

Compound IDPGDB_C020212

FormulaC22H21Cl2F2N3O5S

Molecular weight548.395

InChIKeyZDOQAZBQVILACU-UHFFFAOYSA-N

Physicochemical properties

Exact mass547.0547

RDKit cLogP3.03

TPSA135.4

HBD / HBA3 / 5

Rotatable bonds6

Heavy atoms35

Hetero atoms13

Rings / aromatic3 / 2

Fraction Csp30.32

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	=	97	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A009028	PGDB_C020212	PGDB_AS002061	View
DC50	-	<=	100	nM	-	—	-	-	CAL-51	KR20260041885A	PGDB_A010534	PGDB_C020212	PGDB_AS002572	View
DC50	-	=	5	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A012704	PGDB_C020212	PGDB_AS001365	View
Dmax	-	=	95	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A018790	PGDB_C020212	PGDB_AS002061	View
EC50	-	<=	100	nM	-	—	-	-	-	KR20260041885A	PGDB_A024443	PGDB_C020212	PGDB_AS001290	View
EC50	-	<	100	nM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A033008	PGDB_C020212	PGDB_AS000488	View
Dmax	-	>	75	%	Concentration series: 1 uM, 0.05 nM	24 h	-	-	CAL-51	KR20260041885A	PGDB_A033041	PGDB_C020212	PGDB_AS001446	View
EC50	-	=	0.08	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A048480	PGDB_C020212	PGDB_AS001033	View
DC50	-	<	100	nM	-	—	NEK7	CRBN	-	WO2025024521A1	PGDB_A053201	PGDB_C020212	PGDB_AS000280	View
Dmax	-	>	75	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A066935	PGDB_C020212	PGDB_AS002165	View
EC50	-	=	0.05	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A073571	PGDB_C020212	PGDB_AS001033	View
DC50	-	=	2	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A077643	PGDB_C020212	PGDB_AS001365	View

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