PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

C[C@H](Oc1nc(-c2onc3c2CCC[C@@]32CCCc3sc(N)c(C#N)c32)nc2c1CN(CCN1CC[C@H](N3CCN(c4ccc5c(N6CCC(=O)NC6=O)nn(C)c5c4F)CC3)C(F)(F)C1)C2)[C@@H]1C[C@@H](F)CN1C

Compound summary

Compound IDPGDB_C031963

FormulaC51H60F4N14O4S

Molecular weight1,041.194

InChIKeyKODIQUYYMUAFTC-WTGCYTDFSA-N

Physicochemical properties

Exact mass1040.4579

RDKit cLogP5.73

TPSA194.3

HBD / HBA2 / 17

Rotatable bonds10

Heavy atoms74

Hetero atoms23

Rings / aromatic12 / 5

Fraction Csp30.59

Formal charge0

Fragments1

Activity compounds and values

Activity records

13 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	=	77	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A000696	PGDB_C031963	PGDB_AS001980	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A002288	PGDB_C031963	PGDB_AS001709	View
IC50	-	=	56.4	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A005379	PGDB_C031963	PGDB_AS000990	View
DC50	-	=	11.3	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A005933	PGDB_C031963	PGDB_AS001045	View
IC50	-	=	4.1	nM	-	—	-	CRBN	SW620	WO2026114958A1	PGDB_A006005	PGDB_C031963	PGDB_AS001786	View
Dmax	-	=	59	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A006409	PGDB_C031963	PGDB_AS001227	View
IC50	-	=	35.6	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A006620	PGDB_C031963	PGDB_AS000484	View
IC50	-	=	669	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A077979	PGDB_C031963	PGDB_AS000132	View
DC50	-	=	17.8	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A078579	PGDB_C031963	PGDB_AS002526	View
IC50	-	=	185.4	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A079051	PGDB_C031963	PGDB_AS000561	View
IC50	-	=	179.7	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A079507	PGDB_C031963	PGDB_AS001452	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A079815	PGDB_C031963	PGDB_AS001690	View
IC50	-	=	21.9	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A081353	PGDB_C031963	PGDB_AS002392	View

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