PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CO[C@@H]1C[C@@H]([C@H](C)Oc2nc(-c3noc4c3CCC[C@@]43C(C#N)=C(N)SC4=C3CCC4)nc3c2CN(CCN2CCC(N4CCC(c5cc6c(C)nn(C7CCC(=O)NC7=O)c6cc5F)CC4)C(F)(F)C2)C3)N(C)C1

Compound summary

Compound IDPGDB_C031981

FormulaC54H65F3N12O5S

Molecular weight1,051.254

InChIKeyDNPWZWLNLDRMDP-YIPFOYBDSA-N

Physicochemical properties

Exact mass1050.4874

RDKit cLogP6.75

TPSA197

HBD / HBA2 / 17

Rotatable bonds11

Heavy atoms75

Hetero atoms21

Rings / aromatic12 / 4

Fraction Csp30.61

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	8.5	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A001498	PGDB_C031981	PGDB_AS000484	View
Dmax	-	=	81	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A001723	PGDB_C031981	PGDB_AS001227	View
DC50	-	=	3.6	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A001941	PGDB_C031981	PGDB_AS001045	View
IC50	-	=	6.5	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A003095	PGDB_C031981	PGDB_AS002392	View
IC50	-	=	9.3	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A003883	PGDB_C031981	PGDB_AS000990	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A005506	PGDB_C031981	PGDB_AS001690	View
Dmax	-	=	81	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A005545	PGDB_C031981	PGDB_AS001980	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A006971	PGDB_C031981	PGDB_AS001709	View
IC50	-	=	72.3	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A078185	PGDB_C031981	PGDB_AS001452	View
IC50	-	=	354.6	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A078373	PGDB_C031981	PGDB_AS000561	View
DC50	-	=	5.5	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A078650	PGDB_C031981	PGDB_AS002526	View
IC50	-	=	123	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A079641	PGDB_C031981	PGDB_AS000132	View

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