PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1Cl

Compound summary

Compound IDPGDB_C008150

FormulaC20H16ClN3O6S

Molecular weight461.883

InChIKeyNNZABYBMYHENJP-UHFFFAOYSA-N

Physicochemical properties

Exact mass461.0448

RDKit cLogP1.85

TPSA129.7

HBD / HBA2 / 6

Rotatable bonds4

Heavy atoms31

Hetero atoms11

Rings / aromatic4 / 2

Fraction Csp30.2

Formal charge0

Fragments1

Activity compounds and values

Activity records

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	18.6	nM	-	—	GSPT1	-	MV-4-11	IL323841A	PGDB_A007423	PGDB_C008150	PGDB_AS001937	View
IC50	-	=	396	nM	-	—	GSPT1	-	MOLM-13	IL323841A	PGDB_A011359	PGDB_C008150	PGDB_AS002158	View
IC50	-	=	57.1	nM	-	—	GSPT1	-	HL-60	IL323841A	PGDB_A011447	PGDB_C008150	PGDB_AS002473	View
IC50	-	=	17.8	nM	-	—	GSPT1	-	MV-4-11	IL323841A	PGDB_A018225	PGDB_C008150	PGDB_AS001344	View
Kd	-	=	6.2	nM	-	—	CRBN	CRBN	HEK293	IL323841A	PGDB_A027716	PGDB_C008150	PGDB_AS001216	View
DC50	-	=	1712.9	nM	-	—	GSPT1	-	HEK293	IL323841A	PGDB_A036505	PGDB_C008150	PGDB_AS000381	View
IC50	-	=	148	nM	-	—	GSPT1	-	MOLM-14	IL323841A	PGDB_A040377	PGDB_C008150	PGDB_AS000193	View
IC50	-	=	143	nM	-	—	GSPT1	-	MOLM-14	IL323841A	PGDB_A040706	PGDB_C008150	PGDB_AS000514	View
IC50	-	=	310	nM	-	—	GSPT1	-	U937	IL323841A	PGDB_A041286	PGDB_C008150	PGDB_AS001578	View
IC50	-	=	276	nM	-	—	GSPT1	-	U937	IL323841A	PGDB_A041786	PGDB_C008150	PGDB_AS002466	View
IC50	-	=	1760	nM	-	—	GSPT1	-	MOLM-13	IL323841A	PGDB_A052567	PGDB_C008150	PGDB_AS000128	View
EC50	-	=	140	nM	-	—	GSPT1	-	HEK293	IL323841A	PGDB_A053889	PGDB_C008150	PGDB_AS002492	View
IC50	-	=	43.1	nM	-	—	GSPT1	-	NCI-H1155	IL323841A	PGDB_A056483	PGDB_C008150	PGDB_AS000925	View
IC50	-	=	56.1	nM	-	—	GSPT1	-	NCI-H1155	IL323841A	PGDB_A060277	PGDB_C008150	PGDB_AS002011	View
IC50	-	=	56.3	nM	-	—	GSPT1	-	HL-60	IL323841A	PGDB_A069397	PGDB_C008150	PGDB_AS000799	View
Dmax	-	=	59.8	%	Concentration series: 1 nM, 3 nM, 10 nM, 30 nM, 100 nM, 1 uM, 3 uM, 10 uM	72 h	GSPT1	-	HEK293	IL323841A	PGDB_A074810	PGDB_C008150	PGDB_AS002464	View

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