PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

C=Nc1c(N)sc2c1C1=C(CCC2)OC12CCCc1c(-c3nc4c(c(O[C@@H](C)[C@@H]5C[C@@H](OC)CN5C)n3)CN([C@H]3C[C@H](N5CC[C@@H](c6ccc7c(N8CCC(=O)NC8=O)nn(C)c7c6)C(F)(F)C5)C3)C4)noc12

Compound summary

Compound IDPGDB_C031975

FormulaC52H60F2N12O6S

Molecular weight1,019.193

InChIKeyTWEUJGXGHKEWIS-BUBXXPEESA-N

Physicochemical properties

Exact mass1018.4448

RDKit cLogP7.21

TPSA194.8

HBD / HBA2 / 17

Rotatable bonds10

Heavy atoms73

Hetero atoms21

Rings / aromatic13 / 5

Fraction Csp30.56

Formal charge0

Fragments1

Activity compounds and values

Activity records

15 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
Dmax	-	=	82	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A000166	PGDB_C031975	PGDB_AS001227	View
IC50	-	=	0.3	nM	-	—	-	CRBN	SW620	WO2026114958A1	PGDB_A001478	PGDB_C031975	PGDB_AS001786	View
DC50	-	=	3.1	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A001560	PGDB_C031975	PGDB_AS001045	View
DC50	-	>	3000	nM	-	—	GSPT1	CRBN	HEK293	WO2026114958A1	PGDB_A002037	PGDB_C031975	PGDB_AS001690	View
DC50	-	=	4.5	nM	-	—	KRAS	-	-	WO2026114958A1	PGDB_A002102	PGDB_C031975	PGDB_AS002526	View
Dmax	-	=	83	%	-	18 h	KRAS	-	-	WO2026114958A1	PGDB_A002900	PGDB_C031975	PGDB_AS001980	View
IC50	-	=	13.6	nM	-	—	-	CRBN	SW1990	WO2026114958A1	PGDB_A002965	PGDB_C031975	PGDB_AS000509	View
DC50	-	>	3000	nM	-	—	CSNK1A1	CRBN	HEK293	WO2026114958A1	PGDB_A003830	PGDB_C031975	PGDB_AS001709	View
IC50	-	=	5.6	nM	-	—	KRAS	CRBN	H358	WO2026114958A1	PGDB_A006633	PGDB_C031975	PGDB_AS000990	View
IC50	-	=	153	nM	-	—	CRBN	CRBN	Tni(Hi5)insect	WO2026114958A1	PGDB_A006788	PGDB_C031975	PGDB_AS000132	View
IC50	-	=	1.6	nM	-	—	-	CRBN	SK-CO-1	WO2026114958A1	PGDB_A006873	PGDB_C031975	PGDB_AS002392	View
IC50	-	=	4.2	nM	-	—	-	CRBN	LOVO	WO2026114958A1	PGDB_A078068	PGDB_C031975	PGDB_AS000484	View
IC50	-	=	72.2	nM	-	—	-	CRBN	LS513	WO2026114958A1	PGDB_A078525	PGDB_C031975	PGDB_AS001452	View
IC50	-	=	2.1	nM	-	—	-	CRBN	GP5d	WO2026114958A1	PGDB_A081246	PGDB_C031975	PGDB_AS002003	View
IC50	-	=	4.9	nM	-	—	-	CRBN	AsPC-1	WO2026114958A1	PGDB_A081724	PGDB_C031975	PGDB_AS000561	View

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