Details of the Drug

General Information of Drug (ID: DMASC8K)

• Drug Name: 1,2-Dihydroxy-10H-anthracen-9-one
• Synonyms: CHEMBL123692; 1,2-Dihydroxy-10H-anthracen-9-one; 1,2-Dihydroxy-9-anthron; SCHEMBL6418805; ZINC13606491; BDBM50060891

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); 226.23
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H10O3
  IUPAC Name: 1,2-dihydroxy-10H-anthracen-9-one
  Canonical SMILES: C1C2=C(C(=C(C=C2)O)O)C(=O)C3=CC=CC=C31
  InChI: InChI=1S/C14H10O3/c15-11-6-5-9-7-8-3-1-2-4-10(8)13(16)12(9)14(11)17/h1-6,15,17H,7H2
  InChIKey: VQTRJTVHFJIZMI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15259267
  TTD ID: D02YPE

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.