PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cn1cc(C2CCN(Cc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=S)CC2)c2ccc(F)cc21

Compound summary

Compound IDPGDB_C022299

FormulaC28H29FN4O2S

Molecular weight504.631

InChIKeyMDLXIRNNBJZJDK-UHFFFAOYSA-N

Physicochemical properties

Exact mass504.1995

RDKit cLogP3.99

TPSA57.6

HBD / HBA1 / 5

Rotatable bonds4

Heavy atoms36

Hetero atoms8

Rings / aromatic6 / 3

Fraction Csp30.39

Formal charge0

Fragments1

Activity compounds and values

Activity records

16 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082753	PGDB_C022299	PGDB_AS002552	View
% Inhibition	-	=	40-53	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082779	PGDB_C022299	PGDB_AS001405	View
% Inhibition	-	=	80-100	%	500 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A083699	PGDB_C022299	PGDB_AS000121	View
% Inhibition	-	=	70-80	%	500 nM	-	-	-	MCF-7	CN119654316A	PGDB_A083739	PGDB_C022299	PGDB_AS001118	View
% Inhibition	-	=	80-100	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083746	PGDB_C022299	PGDB_AS000053	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A083883	PGDB_C022299	PGDB_AS000660	View
% Inhibition	-	=	5-10	%	10 nM	-	-	-	MCF-7	CN119654316A	PGDB_A084058	PGDB_C022299	PGDB_AS002350	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A084066	PGDB_C022299	PGDB_AS001323	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084216	PGDB_C022299	PGDB_AS001023	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A084310	PGDB_C022299	PGDB_AS001680	View
% Inhibition	-	=	80-100	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A084755	PGDB_C022299	PGDB_AS000639	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A084871	PGDB_C022299	PGDB_AS002430	View
% Inhibition	-	=	80-100	%	10 nM	96 h	-	-	MOLT-4	CN119654316A	PGDB_A084980	PGDB_C022299	PGDB_AS002038	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085000	PGDB_C022299	PGDB_AS000017	View
% Inhibition	-	=	70-80	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085154	PGDB_C022299	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A085643	PGDB_C022299	PGDB_AS000466	View

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