PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

N#CC1CN(c2cc(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)c3ncc(C(F)(F)F)n3n2)C1

Compound summary

Compound IDPGDB_C010933

FormulaC19H13Cl2F3N8

Molecular weight481.269

InChIKeyRILXOSNMNATYQX-UHFFFAOYSA-N

Physicochemical properties

Exact mass480.0592

RDKit cLogP4.5

TPSA97.9

HBD / HBA2 / 7

Rotatable bonds4

Heavy atoms32

Hetero atoms13

Rings / aromatic5 / 4

Fraction Csp30.26

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	<=	0.1	uM	-	—	CDK13	-	-	WO2025110815A1	PGDB_A014723	PGDB_C010933	PGDB_AS001146	View
IC50	-	<=	0.05	uM	-	—	-	-	MDA-MB-231	WO2025110815A1	PGDB_A016179	PGDB_C010933	PGDB_AS000344	View
IC50	-	=	0.1-0.5	uM	-	—	CDK12	-	-	WO2025110815A1	PGDB_A026736	PGDB_C010933	PGDB_AS002095	View
IC50	-	<=	0.2	uM	-	—	-	-	SNU-1	WO2025110815A1	PGDB_A027860	PGDB_C010933	PGDB_AS001364	View
IC50	-	<=	0.2	uM	-	—	-	-	MKN45	WO2025110815A1	PGDB_A031139	PGDB_C010933	PGDB_AS000058	View
IC50	-	<=	0.2	uM	-	—	-	-	KATO-III	WO2025110815A1	PGDB_A038805	PGDB_C010933	PGDB_AS001821	View
IC50	-	<=	0.05	uM	-	—	-	-	MDA-MB-436	WO2025110815A1	PGDB_A058497	PGDB_C010933	PGDB_AS002448	View
IC50	-	<=	0.3	uM	-	—	POLR2A	-	-	WO2025110815A1	PGDB_A063413	PGDB_C010933	PGDB_AS000589	View
IC50	-	<=	0.05	uM	-	—	-	-	HCC70	WO2025110815A1	PGDB_A065408	PGDB_C010933	PGDB_AS001231	View
Selectivity index	CDK2 / CDK12	<=	100	fold	-	—	-	-	-	WO2025110815A1	PGDB_A066952	PGDB_C010933	PGDB_AS002325	View
IC50	-	<=	0.2	uM	-	—	-	-	AGS	WO2025110815A1	PGDB_A069253	PGDB_C010933	PGDB_AS000697	View
IC50	-	<=	0.05	uM	-	—	-	-	BT-20	WO2025110815A1	PGDB_A073925	PGDB_C010933	PGDB_AS000821	View

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