PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3ccc(CN4CCC(N5CC=C(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)cc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C000861

FormulaC30H30Cl2F2N4O2S

Molecular weight619.565

InChIKeyNANYMSPOKOGOBZ-UHFFFAOYSA-N

Physicochemical properties

Exact mass618.1435

RDKit cLogP5.29

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds5

Heavy atoms41

Hetero atoms11

Rings / aromatic6 / 2

Fraction Csp30.43

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A010961	PGDB_C000861	PGDB_AS002025	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A024804	PGDB_C000861	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A025789	PGDB_C000861	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A027174	PGDB_C000861	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A046016	PGDB_C000861	PGDB_AS001655	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A050001	PGDB_C000861	PGDB_AS001466	View
% Inhibition	-	=	60-70	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A065401	PGDB_C000861	PGDB_AS001462	View
% Inhibition	-	=	30-40	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A072836	PGDB_C000861	PGDB_AS002000	View

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