PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4C[C@@H]5C[C@H]4CN5c4cccc(Cl)c4Cl)cccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022097

FormulaC25H24Cl2N4O2S

Molecular weight515.466

InChIKeyDRBUINOBEZDNAM-MBFMUOJQSA-N

Physicochemical properties

Exact mass514.0997

RDKit cLogP3.75

TPSA55.9

HBD / HBA1 / 5

Rotatable bonds4

Heavy atoms34

Hetero atoms9

Rings / aromatic6 / 2

Fraction Csp30.4

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	30-40	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A082071	PGDB_C022097	PGDB_AS001405	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A082307	PGDB_C022097	PGDB_AS001323	View
% Degradation	-	=	80-100	%	-	-	WEE1	-	-	CN119654316A	PGDB_A082704	PGDB_C022097	PGDB_AS001023	View
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A083379	PGDB_C022097	PGDB_AS002430	View
% Inhibition	-	=	40-50	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A083516	PGDB_C022097	PGDB_AS000042	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A084531	PGDB_C022097	PGDB_AS000466	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084958	PGDB_C022097	PGDB_AS000660	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A085124	PGDB_C022097	PGDB_AS001680	View
% Inhibition	-	=	50-60	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085252	PGDB_C022097	PGDB_AS000639	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A085277	PGDB_C022097	PGDB_AS000017	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A085352	PGDB_C022097	PGDB_AS000053	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085550	PGDB_C022097	PGDB_AS002552	View

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