PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CCn1cc(-c2cc(Cn3ccn(C)c3=N)cc3c2OCC(Cc2ccc(Cl)c(OCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(C5=C(C)SC=[SH]5)cc4)C(C)(C)C)c2)C3=O)c(C(F)(F)F)n1

Compound summary

Compound IDPGDB_C019790

FormulaC51H56ClF3N8O7S2

Molecular weight1,049.639

InChIKeySWJQAJOKYQYVNS-NSUGSBPNSA-N

Physicochemical properties

Exact mass1048.3354

RDKit cLogP7.19

TPSA185.8

HBD / HBA5 / 13

Rotatable bonds15

Heavy atoms72

Hetero atoms21

Rings / aromatic8 / 5

Fraction Csp30.39

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	0.0001-0.01	uM	-	—	-	-	NB4	KR102735378B1	PGDB_A013650	PGDB_C019790	PGDB_AS000886	View
IC50	-	=	0.01-1	uM	-	—	-	-	KG-1	KR102735378B1	PGDB_A014129	PGDB_C019790	PGDB_AS000526	View
IC50	-	=	0.01-1	uM	-	—	-	-	Tanoue	KR102735378B1	PGDB_A022524	PGDB_C019790	PGDB_AS000293	View
IC50	-	=	0.0001-0.01	uM	-	—	-	-	KG-1	KR2023068335	PGDB_A027198	PGDB_C019790	PGDB_AS001229	View
IC50	-	=	0.0001-0.01	uM	-	—	-	-	NALM-6	KR102735378B1	PGDB_A032404	PGDB_C019790	PGDB_AS001071	View
IC50	-	=	0.01-1	uM	-	—	-	-	OCI-LY3	KR102735378B1	PGDB_A040856	PGDB_C019790	PGDB_AS000071	View
IC50	-	=	0.01-1	uM	-	—	-	-	OCI-LY19	KR102735378B1	PGDB_A059969	PGDB_C019790	PGDB_AS001080	View
IC50	-	=	0.01-1	uM	-	—	-	-	HL-60	KR102735378B1	PGDB_A063579	PGDB_C019790	PGDB_AS000015	View
IC50	-	=	0.01-1	uM	-	—	-	-	TMD8	KR102735378B1	PGDB_A067896	PGDB_C019790	PGDB_AS002232	View
IC50	-	=	0.0001-0.01	uM	-	—	-	-	MOLM-13	KR102735378B1	PGDB_A073217	PGDB_C019790	PGDB_AS000123	View
IC50	-	=	0.0001-0.01	uM	-	—	-	-	MOLT-4	KR102735378B1	PGDB_A074633	PGDB_C019790	PGDB_AS000194	View
IC50	-	=	0.01-1	uM	-	—	-	-	Caco-2	KR102735378B1	PGDB_A075084	PGDB_C019790	PGDB_AS001167	View

Rows per pagePage 1 of 1 · 12 recordsGo to page