Details of the Drug

General Information of Drug (ID: DMRNO5U)

• Drug Name: 1-Hydroxy-8-methoxy-10H-anthracen-9-one
• Synonyms: CHEMBL125592; 9(10H)-Anthracenone, 1-hydroxy-8-methoxy-; 138591-01-2; ACMC-20mxto; 1-Hydroxy-8-methoxy-10H-anthracen-9-one; 1-Hydroxy-8-methoxyanthrone; SCHEMBL12775753; CTK0B8005; DTXSID10568303; ZINC13366515; BDBM50060886; AKOS030561671

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 240.25
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H12O3
  IUPAC Name: 1-hydroxy-8-methoxy-10H-anthracen-9-one
  Canonical SMILES: COC1=CC=CC2=C1C(=O)C3=C(C2)C=CC=C3O
  InChI: InChI=1S/C15H12O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h2-7,16H,8H2,1H3
  InChIKey: KXNCIFRRMSGNPW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15107209
  CAS Number: 138591-01-2
  TTD ID: D06CWX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] Simple analogues of anthralin: unusual specificity of structure and antiproliferative activity. J Med Chem. 1997 Nov 7;40(23):3773-80.