PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(CN4CCC(c5ccon5)CC4)cccc3C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022206

FormulaC22H24N4O3S

Molecular weight424.526

InChIKeyKNLGEODZRJUUFH-UHFFFAOYSA-N

Physicochemical properties

Exact mass424.1569

RDKit cLogP2.35

TPSA78.7

HBD / HBA1 / 6

Rotatable bonds4

Heavy atoms30

Hetero atoms8

Rings / aromatic5 / 2

Fraction Csp30.45

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	80-100	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A081991	PGDB_C022206	PGDB_AS002430	View
% Degradation	-	=	80-100	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A082531	PGDB_C022206	PGDB_AS001680	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A082801	PGDB_C022206	PGDB_AS000466	View
% Inhibition	-	=	20-30	%	10 nM	-	-	-	MM.1S	CN119654316A	PGDB_A082823	PGDB_C022206	PGDB_AS000042	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083173	PGDB_C022206	PGDB_AS000053	View
% Degradation	-	=	80-100	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083305	PGDB_C022206	PGDB_AS000017	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A083350	PGDB_C022206	PGDB_AS001023	View
% Inhibition	-	=	30-40	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A084052	PGDB_C022206	PGDB_AS001323	View
% Inhibition	-	=	60-80	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084180	PGDB_C022206	PGDB_AS002552	View
% Degradation	-	=	80-100	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A084489	PGDB_C022206	PGDB_AS000660	View
% Inhibition	-	=	40-53	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085332	PGDB_C022206	PGDB_AS001405	View
% Inhibition	-	=	40-50	%	500 nM	-	-	-	MM.1S	CN119654316A	PGDB_A085382	PGDB_C022206	PGDB_AS000639	View

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