PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4ccccc4OC(F)(F)F)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C001361

FormulaC20H14F3N3O7S

Molecular weight497.407

InChIKeyRKAFYSIKAVFVPS-UHFFFAOYSA-N

Physicochemical properties

Exact mass497.0505

RDKit cLogP1.79

TPSA138.9

HBD / HBA2 / 7

Rotatable bonds5

Heavy atoms34

Hetero atoms14

Rings / aromatic4 / 2

Fraction Csp30.2

Formal charge0

Fragments1

Activity compounds and values

Activity records

18 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	1850	nM	-	—	GSPT1	-	MOLM-13	IL323841A	PGDB_A007247	PGDB_C001361	PGDB_AS000128	View
EC50	-	=	198.3	nM	-	—	GSPT1	-	HEK293	IL323841A	PGDB_A012632	PGDB_C001361	PGDB_AS002492	View
IC50	-	=	99.8	nM	-	—	GSPT1	-	HL-60	IL323841A	PGDB_A015068	PGDB_C001361	PGDB_AS000799	View
IC50	-	=	31.5	nM	-	—	GSPT1	-	MV-4-11	IL323841A	PGDB_A016111	PGDB_C001361	PGDB_AS001937	View
IC50	-	=	486	nM	-	—	GSPT1	-	U937	IL323841A	PGDB_A019089	PGDB_C001361	PGDB_AS002466	View
IC50	-	=	129	nM	-	—	GSPT1	-	NCI-H1155	IL323841A	PGDB_A029785	PGDB_C001361	PGDB_AS000925	View
IC50	-	<	1	uM	-	—	CRBN	CRBN	-	WO2022066835A1	PGDB_A030813	PGDB_C001361	PGDB_AS001252	View
IC50	-	=	162	nM	-	—	GSPT1	-	MOLM-14	IL323841A	PGDB_A038800	PGDB_C001361	PGDB_AS000514	View
IC50	-	=	97.3	nM	-	—	GSPT1	-	HL-60	IL323841A	PGDB_A039398	PGDB_C001361	PGDB_AS002473	View
IC50	-	=	164.1	nM	-	—	GSPT1	-	NCI-H1155	IL323841A	PGDB_A039732	PGDB_C001361	PGDB_AS002011	View
IC50	-	=	160	nM	-	—	GSPT1	-	MOLM-14	IL323841A	PGDB_A040183	PGDB_C001361	PGDB_AS000193	View
EC50	-	<	1	uM	-	—	GSPT1	CRBN	HEK293	WO2022066835A1	PGDB_A045625	PGDB_C001361	PGDB_AS000168	View
Dmax	-	=	78.3	%	Concentration series: 1 nM, 3 nM, 10 nM, 30 nM, 100 nM, 1 uM, 3 uM, 10 uM	72 h	GSPT1	-	HEK293	IL323841A	PGDB_A050191	PGDB_C001361	PGDB_AS002464	View
IC50	-	=	551	nM	-	—	GSPT1	-	U937	IL323841A	PGDB_A060661	PGDB_C001361	PGDB_AS001578	View
Kd	-	=	6	nM	-	—	CRBN	CRBN	HEK293	IL323841A	PGDB_A063862	PGDB_C001361	PGDB_AS001216	View
IC50	-	=	35.4	nM	-	—	GSPT1	-	MV-4-11	IL323841A	PGDB_A068931	PGDB_C001361	PGDB_AS001344	View
DC50	-	=	454.5	nM	-	—	GSPT1	-	HEK293	IL323841A	PGDB_A071133	PGDB_C001361	PGDB_AS000381	View
IC50	-	=	944	nM	-	—	GSPT1	-	MOLM-13	IL323841A	PGDB_A073421	PGDB_C001361	PGDB_AS002158	View

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