PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1nc(C2=CCN(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=S)CC2)c2ccsc2n1

Compound summary

Compound IDPGDB_C022001

FormulaC26H25N5O2S2

Molecular weight503.653

InChIKeyIJCYMDZASNFVAL-UHFFFAOYSA-N

Physicochemical properties

Exact mass503.145

RDKit cLogP3.59

TPSA78.4

HBD / HBA1 / 7

Rotatable bonds4

Heavy atoms35

Hetero atoms9

Rings / aromatic6 / 3

Fraction Csp30.35

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A081925	PGDB_C022001	PGDB_AS002430	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082131	PGDB_C022001	PGDB_AS002552	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	THP-1	CN119654316A	PGDB_A083013	PGDB_C022001	PGDB_AS001945	View
% Inhibition	-	=	10-20	%	10 nM	-	-	-	A375	CN119654316A	PGDB_A084188	PGDB_C022001	PGDB_AS000784	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	SW620	CN119654316A	PGDB_A084230	PGDB_C022001	PGDB_AS002371	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084354	PGDB_C022001	PGDB_AS000466	View
% Inhibition	-	=	53-60	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084662	PGDB_C022001	PGDB_AS001405	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084683	PGDB_C022001	PGDB_AS000660	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084714	PGDB_C022001	PGDB_AS001680	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084826	PGDB_C022001	PGDB_AS001023	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	THP-1	CN119654316A	PGDB_A085163	PGDB_C022001	PGDB_AS000421	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085387	PGDB_C022001	PGDB_AS000017	View
% Inhibition	-	=	5-10	%	10 nM	-	-	-	SW620	CN119654316A	PGDB_A085566	PGDB_C022001	PGDB_AS001871	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	A375	CN119654316A	PGDB_A085693	PGDB_C022001	PGDB_AS001163	View

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