PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

C[C@H](Oc1nc(-c2noc3c2CCC[C@@]32CCCc3sc(N)c(C#N)c32)nc2c1CN(CCCN1CC[C@H](c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C(F)(F)C1)C2)[C@@H]1C[C@@H](F)CN1C

Compound summary

Compound IDPGDB_C031965

FormulaC49H55F3N10O5S

Molecular weight953.105

InChIKeyUFQSYNSLIBSCPS-PHBXMMHKSA-N

Physicochemical properties

Exact mass952.403

RDKit cLogP6.01

TPSA187.1

HBD / HBA2 / 14

Rotatable bonds10

Heavy atoms68

Hetero atoms19

Rings / aromatic11 / 4

Fraction Csp30.57

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
DC50	-	=	1.5	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A002523	PGDB_C031965	PGDB_AS001045	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A002593	PGDB_C031965	PGDB_AS001709	View
Dmax	-	=	83	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A003779	PGDB_C031965	PGDB_AS001227	View
IC50	-	=	1.1	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A004048	PGDB_C031965	PGDB_AS000484	View
IC50	-	=	1.1	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A005282	PGDB_C031965	PGDB_AS002392	View
IC50	-	=	15.8	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A005674	PGDB_C031965	PGDB_AS000561	View
DC50	-	=	2.8	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A006039	PGDB_C031965	PGDB_AS002526	View
IC50	-	=	86	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A077973	PGDB_C031965	PGDB_AS000132	View
IC50	-	=	2.3	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A078413	PGDB_C031965	PGDB_AS000990	View
IC50	-	=	538.5	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A078511	PGDB_C031965	PGDB_AS001452	View
Dmax	-	=	80	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A078791	PGDB_C031965	PGDB_AS001980	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A081648	PGDB_C031965	PGDB_AS001690	View

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