PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1ccc(N2CCN(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=S)CC2)cc1

Compound summary

Compound IDPGDB_C022141

FormulaC25H28N4O2S

Molecular weight448.592

InChIKeyMKCUDTDAKGLDSI-UHFFFAOYSA-N

Physicochemical properties

Exact mass448.1933

RDKit cLogP2.61

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds4

Heavy atoms32

Hetero atoms7

Rings / aromatic5 / 2

Fraction Csp30.4

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A082032	PGDB_C022141	PGDB_AS000121	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082055	PGDB_C022141	PGDB_AS001023	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A082532	PGDB_C022141	PGDB_AS002430	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083099	PGDB_C022141	PGDB_AS000017	View
% Inhibition	-	=	0-5	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A083555	PGDB_C022141	PGDB_AS002038	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083670	PGDB_C022141	PGDB_AS000053	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A083817	PGDB_C022141	PGDB_AS000660	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A083907	PGDB_C022141	PGDB_AS002552	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A084373	PGDB_C022141	PGDB_AS001323	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084390	PGDB_C022141	PGDB_AS000042	View
% Inhibition	-	=	50-60	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084493	PGDB_C022141	PGDB_AS000639	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084918	PGDB_C022141	PGDB_AS000466	View
% Inhibition	-	=	40-53	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085039	PGDB_C022141	PGDB_AS001405	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A085254	PGDB_C022141	PGDB_AS001680	View

Rows per pagePage 1 of 1 · 14 recordsGo to page