Details of the Drug

General Information of Drug (ID: DMZK4DL)

• Drug Name: 1,8-Dichloro-10H-anthracen-9-one
• Synonyms: 1,8-Dichloro-10H-anthracen-9-one; CHEMBL122022; 50259-93-3; NSC162539; 1,8-Dichloroanthrone; AC1Q3KGA; AC1L9O6M; SCHEMBL7103871; CTK1H2907; DTXSID70329816; ZINC393214; BDBM50060867; AKOS024331862; NSC-162539; MCULE-9362278595

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); 263.1
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H8Cl2O
  IUPAC Name: 1,8-dichloro-10H-anthracen-9-one
  Canonical SMILES: C1C2=C(C(=CC=C2)Cl)C(=O)C3=C1C=CC=C3Cl
  InChI: InChI=1S/C14H8Cl2O/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6H,7H2
  InChIKey: AYDNUUZHQKPRKA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 424114
  CAS Number: 50259-93-3
  TTD ID: D04MBD

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.