PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

C[C@H](Oc1nc(-c2noc3c2CCC[C@]32CCCc3sc(N)c(C#N)c32)nc2c1CN(CCN1CCC(N3CCC(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)C(F)(F)C1)C2)[C@@H]1C[C@@H](F)CN1C

Compound summary

Compound IDPGDB_C031986

FormulaC53H62F3N11O5S

Molecular weight1,022.212

InChIKeyJYZLLAVPNYLUCZ-BIRUVABTSA-N

Physicochemical properties

Exact mass1021.4608

RDKit cLogP6.08

TPSA190.3

HBD / HBA2 / 15

Rotatable bonds10

Heavy atoms73

Hetero atoms20

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
Dmax	-	=	70	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A000488	PGDB_C031986	PGDB_AS001227	View
IC50	-	=	10000	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A002363	PGDB_C031986	PGDB_AS000561	View
IC50	-	=	3.9	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A002744	PGDB_C031986	PGDB_AS000484	View
DC50	-	=	53	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A002956	PGDB_C031986	PGDB_AS001709	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A004543	PGDB_C031986	PGDB_AS001690	View
IC50	-	=	331.2	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A004694	PGDB_C031986	PGDB_AS001452	View
DC50	-	=	2.7	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A006521	PGDB_C031986	PGDB_AS001045	View
IC50	-	=	147	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A077989	PGDB_C031986	PGDB_AS000132	View
Dmax	-	=	75	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A078233	PGDB_C031986	PGDB_AS001980	View
DC50	-	=	5.6	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A078359	PGDB_C031986	PGDB_AS002526	View
IC50	-	=	2.6	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A078412	PGDB_C031986	PGDB_AS002392	View
IC50	-	=	2.9	nM	-	—	-	CRBN	SW620	WO2026114958A1	PGDB_A078896	PGDB_C031986	PGDB_AS001786	View
IC50	-	=	5.9	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A080208	PGDB_C031986	PGDB_AS000990	View

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