PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

C[C@H](Oc1nc(-c2noc3c2CCC[C@@]32CCCc3sc(N)c(C#N)c32)nc2c1CN(CCCN1CCC(c3ccc4c(N5CCC(=O)NC5=O)nn(C)c4c3F)=C(F)C1)C2)[C@@H]1C[C@@H](F)CN1C

Compound summary

Compound IDPGDB_C031964

FormulaC48H53F3N12O4S

Molecular weight951.093

InChIKeyYTOBXJPIOSKEAH-JKDZDMHUSA-N

Physicochemical properties

Exact mass950.3986

RDKit cLogP6.68

TPSA187.8

HBD / HBA2 / 15

Rotatable bonds10

Heavy atoms68

Hetero atoms20

Rings / aromatic11 / 5

Fraction Csp30.52

Formal charge0

Fragments1

Activity compounds and values

Activity records

13 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	14.4	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A000124	PGDB_C031964	PGDB_AS000990	View
IC50	-	=	8.1	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A002683	PGDB_C031964	PGDB_AS002392	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A003210	PGDB_C031964	PGDB_AS001690	View
IC50	-	=	44.6	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A003284	PGDB_C031964	PGDB_AS001452	View
IC50	-	=	21.8	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A003593	PGDB_C031964	PGDB_AS000484	View
IC50	-	=	617	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A003958	PGDB_C031964	PGDB_AS000132	View
DC50	-	=	6.8	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A004792	PGDB_C031964	PGDB_AS002526	View
Dmax	-	=	86	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A004968	PGDB_C031964	PGDB_AS001227	View
IC50	-	=	3	nM	-	—	-	CRBN	SW620	WO2026114958A1	PGDB_A078278	PGDB_C031964	PGDB_AS001786	View
DC50	-	=	7.5	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A078647	PGDB_C031964	PGDB_AS001045	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A078687	PGDB_C031964	PGDB_AS001709	View
IC50	-	=	276.9	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A079174	PGDB_C031964	PGDB_AS000561	View
Dmax	-	=	77	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A081065	PGDB_C031964	PGDB_AS001980	View

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