PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1ccnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1

Compound summary

Compound IDPGDB_C020333

FormulaC21H22Cl2N4O3

Molecular weight449.338

InChIKeyUYGQLGPPWMNRLY-UHFFFAOYSA-N

Physicochemical properties

Exact mass448.1069

RDKit cLogP3.21

TPSA101

HBD / HBA2 / 5

Rotatable bonds5

Heavy atoms30

Hetero atoms9

Rings / aromatic3 / 2

Fraction Csp30.38

Formal charge0

Fragments1

Activity compounds and values

Activity records

11 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	>	75	%	-	-	NEK7	CRBN	-	WO2025024521A1	PGDB_A010391	PGDB_C020333	PGDB_AS002165	View
Dmax	-	=	76	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A014292	PGDB_C020333	PGDB_AS002061	View
DC50	-	=	1	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A021180	PGDB_C020333	PGDB_AS001365	View
EC50	-	=	0.09	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A027726	PGDB_C020333	PGDB_AS001033	View
Dmax	-	>	75	%	Concentration context: various concentrations	24 h	-	-	CAL-51	KR20260041885A	PGDB_A040757	PGDB_C020333	PGDB_AS000078	View
EC50	-	=	0.2	uM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A046243	PGDB_C020333	PGDB_AS001033	View
DC50	-	<	100	nM	-	—	NEK7	CRBN	-	WO2025024521A1	PGDB_A050729	PGDB_C020333	PGDB_AS000280	View
DC50	-	<=	100	nM	-	—	-	-	CAL-51	KR20260041885A	PGDB_A060223	PGDB_C020333	PGDB_AS000761	View
DC50	-	=	34	nM	-	—	NEK7	-	CAL-51	WO2025024521A1	PGDB_A072320	PGDB_C020333	PGDB_AS001365	View
EC50	-	=	100-1000	nM	-	—	CRBN	CRBN	-	WO2025024521A1	PGDB_A072409	PGDB_C020333	PGDB_AS000488	View
Dmax	-	=	96	%	Concentration series: 1 uM, 0.05 nM	24 h	NEK7	-	CAL-51	WO2025024521A1	PGDB_A073985	PGDB_C020333	PGDB_AS002061	View

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