PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000059

FormulaC22H18ClF2N3O4

Molecular weight461.852

InChIKeyPWBHUSLMHZLGRN-UHFFFAOYSA-N

Physicochemical properties

Exact mass461.0954

RDKit cLogP2.51

TPSA95.6

HBD / HBA2 / 4

Rotatable bonds5

Heavy atoms32

Hetero atoms10

Rings / aromatic4 / 2

Fraction Csp30.27

Formal charge0

Fragments1

Activity compounds and values

Activity records

22 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	33	%	10 uM	24 h	IKZF1	-	H929	CN116457344A	PGDB_A007706	PGDB_C000059	PGDB_AS001613	View
IC50	-	=	10-100	nM	-	—	GSPT1	-	U937	WO2024222918A1	PGDB_A016725	PGDB_C000059	PGDB_AS002362	View
% Degradation	-	=	70-90	%	-	-	-	-	MOLM-13	CN117756818A	PGDB_A016919	PGDB_C000059	PGDB_AS000622	View
% Degradation	-	=	10-30	%	1 uM	-	BRD4	-	-	CN117683022A	PGDB_A019080	PGDB_C000059	PGDB_AS002272	View
IC50	-	>	4000	nM	-	—	-	-	Raji	CN117683022A	PGDB_A020158	PGDB_C000059	PGDB_AS000751	View
IC50	-	=	114	nM	-	—	GSPT1	-	BT-474	CN120865187A	PGDB_A024748	PGDB_C000059	PGDB_AS000382	View
IC50	-	>	4000	nM	-	—	-	-	THP-1	CN117683022A	PGDB_A024897	PGDB_C000059	PGDB_AS000289	View
IC50	-	>	2000	nM	-	—	-	-	THP-1	CN117756818A	PGDB_A026786	PGDB_C000059	PGDB_AS000638	View
% Degradation	-	=	60-80	%	1 uM	-	GSPT1	-	-	CN117683022A	PGDB_A028267	PGDB_C000059	PGDB_AS001783	View
IC50	-	=	10-100	nM	-	—	GSPT1	-	KG-1	WO2024251301A1	PGDB_A030520	PGDB_C000059	PGDB_AS000854	View
IC50	-	=	0.189	uM	-	—	-	-	H929	CN116457344A	PGDB_A037907	PGDB_C000059	PGDB_AS000797	View
IC50	-	=	10-100	nM	-	—	GSPT1	-	MV-4-11	WO2024222918A1	PGDB_A045867	PGDB_C000059	PGDB_AS001375	View
IC50	-	=	10-100	nM	-	—	GSPT1	-	KG-1	WO2024222918A1	PGDB_A048551	PGDB_C000059	PGDB_AS002114	View
IC50	-	=	100-1000	nM	-	—	-	-	MOLM-13	CN117756818A	PGDB_A048702	PGDB_C000059	PGDB_AS001583	View
IC50	-	=	100-1000	nM	-	—	GSPT1	-	MOLM-13	WO2024222918A1	PGDB_A051219	PGDB_C000059	PGDB_AS000118	View
% Degradation	-	=	30-50	%	-	-	-	-	MOLM-13	CN117756818A	PGDB_A061925	PGDB_C000059	PGDB_AS002573	View
IC50	-	>	2000	nM	-	—	BRD4/GSPT1	-	Oci-AML3	CN117756818A	PGDB_A065183	PGDB_C000059	PGDB_AS002081	View
% Degradation	-	=	20-40	%	10 nM	6 h	GSPT1	-	MV-4-11	CN120289428A	PGDB_A066780	PGDB_C000059	PGDB_AS000838	View
IC50	-	=	54	nM	-	—	BRD4/GSPT1	-	HL-60	CN117756818A	PGDB_A071065	PGDB_C000059	PGDB_AS001357	View
IC50	-	=	25	nM	-	—	BRD4/GSPT1	-	NB4	CN117756818A	PGDB_A074514	PGDB_C000059	PGDB_AS000935	View

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