PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(C3CCN(Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=S)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000838

FormulaC38H46ClF2N5O2S

Molecular weight710.335

InChIKeyIWNLAUIBOUJASX-UHFFFAOYSA-N

Physicochemical properties

Exact mass709.3029

RDKit cLogP6.13

TPSA59.1

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms49

Hetero atoms11

Rings / aromatic7 / 2

Fraction Csp30.55

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A010000	PGDB_C000838	PGDB_AS001449	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A021992	PGDB_C000838	PGDB_AS001655	View
% Inhibition	-	=	53-60	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A033092	PGDB_C000838	PGDB_AS001462	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A041052	PGDB_C000838	PGDB_AS002025	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A050790	PGDB_C000838	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A058923	PGDB_C000838	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A063823	PGDB_C000838	PGDB_AS001466	View
% Inhibition	-	=	20-30	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A074886	PGDB_C000838	PGDB_AS002000	View

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