Compound Detail

CHEMBL2332985

2-METHOXYANTHRAQUINONE

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1ccc2c(c1)C(=O)c1ccccc1C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2332985
Name	2-METHOXYANTHRAQUINONE
Phase	Preclinical
Structure Type	MOL
InChI Key	APLQXUAECQNQFE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

238.2

MW (Da)

2.47

ALogP

HBA

HBD

43.4

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 4.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	4.17	4.17	68000.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.17	4.17	68000.0	1
DU-145 CHEMBL613508	IC50	4.16	4.16	70000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	68000.0	nM	4.17	Cytotoxicity against Homo sapiens (human) H460 cells assessed as inhibition of c...	-
MCF7	IC50	=	68000.0	nM	4.17	Cytotoxicity against Homo sapiens (human) MCF7 cells assessed as inhibition of c...	-
DU-145	IC50	=	70000.0	nM	4.16	Cytotoxicity against Homo sapiens (human) DU145 cells assessed as inhibition of ...	-

PubMed	DOI	Target Context	# Activities
-	10.1007/s00044-012-0197-5	NON-PROTEIN TARGET	3
-	10.1007/s00044-012-0197-5	DU-145	1
-	10.1007/s00044-012-0197-5	MES-SA	1
-	10.1007/s00044-012-0197-5	MCF7	1
23454511	10.1016/j.ejmech.2013.01.049	HL-60	1
23454511	10.1016/j.ejmech.2013.01.049	J82	1
23454511	10.1016/j.ejmech.2013.01.049	SK-MES-1	1
23454511	10.1016/j.ejmech.2013.01.049	AGS	1
23454511	10.1016/j.ejmech.2013.01.049	MRC5	1

Data from ChEMBL 36 via Core Engine