PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1nn(C2CCC(=O)NC2=O)c2cc(F)c(C3CCN(C4CCN(CCN5Cc6nc(-c7noc8c7CCC[C@@]87CCC/C7=C7\SC(N)=C7C#N)nc(O[C@@H](C)[C@@H]7C[C@@H](F)CN7C)c6C5)CC4(F)F)CC3)cc12

Compound summary

Compound IDPGDB_C031980

FormulaC53H62F4N12O4S

Molecular weight1,039.218

InChIKeySXPSDOUAFBJFJZ-XSLWPMEESA-N

Physicochemical properties

Exact mass1038.4674

RDKit cLogP7.07

TPSA187.8

HBD / HBA2 / 16

Rotatable bonds10

Heavy atoms74

Hetero atoms21

Rings / aromatic12 / 4

Fraction Csp30.6

Formal charge0

Fragments1

Activity compounds and values

Activity records

13 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	124.2	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A003008	PGDB_C031980	PGDB_AS001452	View
Dmax	-	=	73	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A003149	PGDB_C031980	PGDB_AS001227	View
IC50	-	=	12.7	nM	-	—	-	CRBN	SW620	WO2026114958A1	PGDB_A003962	PGDB_C031980	PGDB_AS001786	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A004305	PGDB_C031980	PGDB_AS001709	View
DC50	-	=	3.7	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A005585	PGDB_C031980	PGDB_AS001045	View
Dmax	-	=	65	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A005816	PGDB_C031980	PGDB_AS001980	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A006120	PGDB_C031980	PGDB_AS001690	View
DC50	-	=	9.5	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A078800	PGDB_C031980	PGDB_AS002526	View
IC50	-	=	31.2	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A078927	PGDB_C031980	PGDB_AS000990	View
IC50	-	=	14.8	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A078955	PGDB_C031980	PGDB_AS002392	View
IC50	-	=	23.9	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A079111	PGDB_C031980	PGDB_AS000484	View
IC50	-	=	166	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A080071	PGDB_C031980	PGDB_AS000132	View
IC50	-	=	82.7	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A081167	PGDB_C031980	PGDB_AS000561	View

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