PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC(N5CCN(c6cccc(Cl)c6Cl)CC5)C(F)(F)C4)c(F)cc3C2=O)C(=O)N1

Compound summary

Compound IDPGDB_C000749

FormulaC29H28Cl2F3N5O4

Molecular weight638.474

InChIKeyFLSMXUNGQPDLQU-NQCNTLBGSA-N

Physicochemical properties

Exact mass637.147

RDKit cLogP3.57

TPSA93.3

HBD / HBA1 / 6

Rotatable bonds4

Heavy atoms43

Hetero atoms14

Rings / aromatic6 / 2

Fraction Csp30.45

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	10-20	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A008962	PGDB_C000749	PGDB_AS002000	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A012178	PGDB_C000749	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A014312	PGDB_C000749	PGDB_AS000102	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A025825	PGDB_C000749	PGDB_AS002025	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	JeKo-1	CN120548310A	PGDB_A030444	PGDB_C000749	PGDB_AS001869	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A040420	PGDB_C000749	PGDB_AS001449	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A041251	PGDB_C000749	PGDB_AS001814	View
% Inhibition	-	=	40-53	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A041941	PGDB_C000749	PGDB_AS001462	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A046331	PGDB_C000749	PGDB_AS001466	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MOLT-4	CN120548310A	PGDB_A055426	PGDB_C000749	PGDB_AS000553	View
% Inhibition	-	=	50-60	%	500 nM	-	-	-	JeKo-1	CN120548310A	PGDB_A067094	PGDB_C000749	PGDB_AS002242	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A074708	PGDB_C000749	PGDB_AS001655	View

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