PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CO[C@@H]1C[C@@H]([C@H](C)Oc2nc(-c3noc4c3CCC[C@@]43CCCc4sc(N)c(C#N)c43)nc3c2CN(CCN2CCC(N4CCN(c5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C(F)(F)C2)C3)N(C)C1

Compound summary

Compound IDPGDB_C031982

FormulaC53H65F2N13O6S

Molecular weight1,050.251

InChIKeyOFRUTSNBBORBSB-UBBSYZSLSA-N

Physicochemical properties

Exact mass1049.487

RDKit cLogP4.57

TPSA209.4

HBD / HBA2 / 19

Rotatable bonds11

Heavy atoms75

Hetero atoms22

Rings / aromatic12 / 5

Fraction Csp30.6

Formal charge0

Fragments1

Activity compounds and values

Activity records

13 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	5.9	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A000195	PGDB_C031982	PGDB_AS000990	View
IC50	-	=	0.7	nM	-	—	-	CRBN	SW620	WO2026114958A1	PGDB_A000525	PGDB_C031982	PGDB_AS001786	View
DC50	-	=	3.2	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A002127	PGDB_C031982	PGDB_AS001045	View
IC50	-	=	2.6	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A003517	PGDB_C031982	PGDB_AS002392	View
Dmax	-	=	79	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A003578	PGDB_C031982	PGDB_AS001980	View
IC50	-	=	309.3	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A004352	PGDB_C031982	PGDB_AS000561	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A004412	PGDB_C031982	PGDB_AS001709	View
IC50	-	=	466	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A005030	PGDB_C031982	PGDB_AS000132	View
IC50	-	=	6.4	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A005488	PGDB_C031982	PGDB_AS000484	View
DC50	-	=	6.9	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A078340	PGDB_C031982	PGDB_AS002526	View
Dmax	-	=	74	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A079550	PGDB_C031982	PGDB_AS001227	View
IC50	-	=	133.7	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A080458	PGDB_C031982	PGDB_AS001452	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A081910	PGDB_C031982	PGDB_AS001690	View

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