PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

Cc1nc(N2CCN(Cc3ccc4c(c3)CN(N3CCC(=O)NC3=O)C4=O)CC2)c2c3c(sc2n1)CCC3

Compound summary

Compound IDPGDB_C014203

FormulaC27H29N7O3S

Molecular weight531.642

InChIKeyCLJSJJNSLJLGFK-UHFFFAOYSA-N

Physicochemical properties

Exact mass531.2053

RDKit cLogP2.62

TPSA102

HBD / HBA1 / 8

Rotatable bonds4

Heavy atoms38

Hetero atoms11

Rings / aromatic7 / 3

Fraction Csp30.44

Formal charge0

Fragments1

Activity compounds and values

Activity records

14 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	20-30	%	0.5 uM	3 h	CRBN	CRBN	-	WO2024245444A1	PGDB_A012777	PGDB_C014203	PGDB_AS001495	View
% Inhibition	-	=	20-25	%	500 nM	-	-	-	H2228	WO2024245444A1	PGDB_A019745	PGDB_C014203	PGDB_AS000051	View
% Inhibition	-	=	15-18	%	500 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A019861	PGDB_C014203	PGDB_AS002131	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	WO2024245444A1	PGDB_A021837	PGDB_C014203	PGDB_AS000339	View
% Inhibition	-	=	20-40	%	500 nM	-	-	-	H292	WO2024245444A1	PGDB_A027181	PGDB_C014203	PGDB_AS000415	View
% Inhibition	-	=	30-40	%	10 nM	-	-	-	H2228	WO2024245444A1	PGDB_A028343	PGDB_C014203	PGDB_AS001356	View
% Inhibition	-	=	40-60	%	10 nM	-	-	-	H292	WO2024245444A1	PGDB_A030108	PGDB_C014203	PGDB_AS001605	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	WO2024245444A1	PGDB_A030810	PGDB_C014203	PGDB_AS001444	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	WO2024245444A1	PGDB_A044584	PGDB_C014203	PGDB_AS001967	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	WO2024245444A1	PGDB_A067970	PGDB_C014203	PGDB_AS001137	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	WO2024245444A1	PGDB_A070054	PGDB_C014203	PGDB_AS001510	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	WO2024245444A1	PGDB_A070683	PGDB_C014203	PGDB_AS000969	View
% Degradation	-	<	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	WO2024245444A1	PGDB_A071251	PGDB_C014203	PGDB_AS002298	View
% Inhibition	-	=	18-25	%	10 nM	-	-	-	MDA-MB-231	WO2024245444A1	PGDB_A076611	PGDB_C014203	PGDB_AS002156	View

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