PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3cc(CN4CCC(N5CCN(C(c6ccccc6)c6ccccn6)CC5)C(F)(F)C4)ccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C000779

FormulaC35H38F2N6O2S

Molecular weight644.792

InChIKeyPVYIPSLXFVCNTH-UHFFFAOYSA-N

Physicochemical properties

Exact mass644.2745

RDKit cLogP3.99

TPSA72

HBD / HBA1 / 7

Rotatable bonds7

Heavy atoms46

Hetero atoms11

Rings / aromatic7 / 3

Fraction Csp30.43

Formal charge0

Fragments1

Activity compounds and values

Activity records

11 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A015535	PGDB_C000779	PGDB_AS001714	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A017656	PGDB_C000779	PGDB_AS001655	View
IC50	-	=	0.5-1	uM	-	—	CRBN	CRBN	-	CN120548310A	PGDB_A025900	PGDB_C000779	PGDB_AS000323	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A030605	PGDB_C000779	PGDB_AS000102	View
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A035861	PGDB_C000779	PGDB_AS000296	View
% Inhibition	-	=	70-80	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A040369	PGDB_C000779	PGDB_AS000584	View
% Inhibition	-	=	50-60	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A042215	PGDB_C000779	PGDB_AS000125	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A054392	PGDB_C000779	PGDB_AS002025	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A062283	PGDB_C000779	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A065962	PGDB_C000779	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A074478	PGDB_C000779	PGDB_AS001466	View

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