PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

N#Cc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN([C@H]4CCC(=O)NC4=O)C5=O)cc3)CC2)c(F)c1

Compound summary

Compound IDPGDB_C005650

FormulaC32H30FN5O4

Molecular weight567.621

InChIKeyYTINZZFBHWSAGL-NDEPHWFRSA-N

Physicochemical properties

Exact mass567.2282

RDKit cLogP3.36

TPSA106

HBD / HBA1 / 7

Rotatable bonds7

Heavy atoms42

Hetero atoms10

Rings / aromatic6 / 3

Fraction Csp30.31

Formal charge0

Fragments1

Activity compounds and values

Activity records

19 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
IC50	-	=	0.08	nM	-	—	IKZF3	CRBN	OPM-2	AU2019272751B2	PGDB_A007476	PGDB_C005650	PGDB_AS002253	View
IC50	-	=	0.13	nM	-	—	IKZF1	CRBN	OPM-2	AU2019272751B2	PGDB_A008496	PGDB_C005650	PGDB_AS000106	View
IC50	-	=	0.17	nM	-	—	-	-	NCI-H929	CN116669736B	PGDB_A015004	PGDB_C005650	PGDB_AS001554	View
Dmax	-	=	95.5	%	Concentration series: 0.316 nM, 10 uM	20 h	IKZF1	-	HT-1080	EP4393915A1	PGDB_A015547	PGDB_C005650	PGDB_AS002293	View
DC50	-	=	0.105	nM	-	—	IKZF1	-	HT-1080	EP4393915A1	PGDB_A016602	PGDB_C005650	PGDB_AS002064	View
IC50	-	=	0.041	nM	-	—	-	-	MM.1S	EP4393915A1	PGDB_A018190	PGDB_C005650	PGDB_AS001514	View
IC50	-	=	0.06	nM	-	—	IKZF3	-	OPM-2	AU2019272751B2	PGDB_A019381	PGDB_C005650	PGDB_AS001698	View
IC50	-	=	0.08	nM	-	—	ZFP91	CRBN	OPM-2	AU2019272751B2	PGDB_A021546	PGDB_C005650	PGDB_AS000285	View
Ymin	-	=	7.5	%	Concentration context: Y min : (%)	120 h	-	-	MM.1S	EP4393915A1	PGDB_A024434	PGDB_C005650	PGDB_AS002328	View
% Inhibition	-	=	52	%	10 uM	60 min	DRD2	-	HEK293	RS66066B1	PGDB_A027941	PGDB_C005650	PGDB_AS002395	View
IC50	-	>	100	nM	-	—	IKZF1	CRBN	OPM-2	AU2019272751B2	PGDB_A030612	PGDB_C005650	PGDB_AS001658	View
Dmax	-	=	75.8	%	Concentration context: HiBiT SALL4: D max (%)	20 h	SALL4	-	HT-1080	EP4393915A1	PGDB_A036793	PGDB_C005650	PGDB_AS000801	View
DC50	-	=	0.0034	uM	-	—	SALL4	-	HT-1080	EP4393915A1	PGDB_A039310	PGDB_C005650	PGDB_AS002491	View
IC50	-	=	0.08	nM	-	—	-	CRBN	OPM-2	AU2019272751B2	PGDB_A044255	PGDB_C005650	PGDB_AS002367	View
IC50	-	>	0.1	uM	-	—	IKZF3	CRBN	DF15	AU2019272751B2	PGDB_A044432	PGDB_C005650	PGDB_AS001313	View
IC50	-	=	0.000031	uM	-	—	IKZF3	CRBN	DF15	AU2019272751B2	PGDB_A049649	PGDB_C005650	PGDB_AS002160	View
% Inhibition	-	=	62	%	10 uM	60 min	α1 adrenergic receptor	-	-	RS66066B1	PGDB_A055926	PGDB_C005650	PGDB_AS000573	View
IC50	-	>	100	nM	-	—	IKZF1	-	OPM-2	AU2019272751B2	PGDB_A059363	PGDB_C005650	PGDB_AS000771	View
IC50	-	=	0.00036	uM	-	—	IKZF3	CRBN	DF15	AU2019272751B2	PGDB_A070912	PGDB_C005650	PGDB_AS001348	View

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