PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CO[C@@H]1CC([C@H](C)Oc2nc(-c3noc4c3CCCC43CCCc4sc(N)c(C#N)c43)nc3c2CN(CCN2CCC4CCC(c5ccc6c(N7CCC(=O)NC7=O)nn(C)c6c5F)CCN4C2(F)F)C3)N(C)C1

Compound summary

Compound IDPGDB_C031979

FormulaC52H62F3N13O5S

Molecular weight1,038.215

InChIKeyLEGUFBPHZLCLEX-SHIGQTMTSA-N

Physicochemical properties

Exact mass1037.467

RDKit cLogP6.77

TPSA200.3

HBD / HBA2 / 17

Rotatable bonds10

Heavy atoms74

Hetero atoms22

Rings / aromatic12 / 5

Fraction Csp30.6

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A002205	PGDB_C031979	PGDB_AS001709	View
DC50	-	=	9	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A002508	PGDB_C031979	PGDB_AS001045	View
IC50	-	=	21.6	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A002930	PGDB_C031979	PGDB_AS000990	View
Dmax	-	=	71	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A004627	PGDB_C031979	PGDB_AS001227	View
DC50	-	=	14.8	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A005836	PGDB_C031979	PGDB_AS002526	View
Dmax	-	=	74	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A006009	PGDB_C031979	PGDB_AS001980	View
IC50	-	=	13.8	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A006344	PGDB_C031979	PGDB_AS000484	View
IC50	-	=	104.6	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A006893	PGDB_C031979	PGDB_AS001452	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A006969	PGDB_C031979	PGDB_AS001690	View
IC50	-	=	785.9	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A078146	PGDB_C031979	PGDB_AS000561	View
IC50	-	=	274	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A078699	PGDB_C031979	PGDB_AS000132	View
IC50	-	=	6	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A079759	PGDB_C031979	PGDB_AS002392	View

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