Details of the Drug

General Information of Drug (ID: DMWZ093)

• Drug Name: ANTHRONE
• Synonyms: ANTHRONE; 90-44-8; 9(10H)-Anthracenone; Carbothrone; Anthranone; 9-Oxoanthracene; 9,10-Dihydro-9-oxoanthracene; 10H-anthracen-9-one; anthracen-9(10H)-one; Az-O; Anthracene, 9,10-dihydro-9-oxo-; UNII-FP0FJ7K744; CCRIS 3175; CHEBI:33835; HSDB 2158; NSC 1965; EINECS 201-994-0; AI3-11256; FP0FJ7K744; CHEMBL124440; 9-10-dihydro-9-oxoanthracene; 9,10-Dihydro-9-ketoanthracene; RJGDLRCDCYRQOQ-UHFFFAOYSA-N; MFCD00001187; Anthrone, ACS reagent; Anthrone, 95%, pure; 10-hydroanthracen-9-one; A-8100; 9-anthrone; Anthrone, 96%; AC1L1NTG

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); 194.23
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H10O
  IUPAC Name: 10H-anthracen-9-one
  Canonical SMILES: C1C2=CC=CC=C2C(=O)C3=CC=CC=C31
  InChI: InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
  InChIKey: RJGDLRCDCYRQOQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 7018
  ChEBI ID: CHEBI:33835
  CAS Number: 90-44-8
  TTD ID: D0C6BU

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.