Details of the Drug

General Information of Drug (ID: DM01WBD)

• Drug Name: 3-acetyl-7-hydroxy-2H-chromen-2-one
• Synonyms: 3-acetyl-7-hydroxy-2H-chromen-2-one; 10441-27-7; 3-Acetyl-7-hydroxy-chromen-2-one; 3-Acetyl-umbelliferone; 3-acetylumbelliferone; CHEMBL153064; 2H-1-Benzopyran-2-one, 3-acetyl-7-hydroxy-; BRQZHMHHZLRXOO-UHFFFAOYSA-N; 3-acetyl-7-hydroxy-2-oxochromene; 3-acetyl-7-hydroxychromen-2-one; 3-Acetyl-7-Hydroxy-1H-Chromen-2-One; 3-acethyl-umbelliferone; AC1NU0NR; 3-Acetyl-7-hydroxycoumarin; CBDivE_005922; MLS000777662; SCHEMBL592707; ZINC47516; cid_5392139; ASIS-0097; CTK4A3026; DTXSID20419817; MolPort-000-820-976; BB_NC-01216; STK365153

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); 204.18
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H8O4
  IUPAC Name: 3-acetyl-7-hydroxychromen-2-one
  Canonical SMILES: CC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
  InChI: InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3
  InChIKey: BRQZHMHHZLRXOO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5392139
  CAS Number: 10441-27-7
  TTD ID: D09BVA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

References

• [1] Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. J Med Chem. 2009 Jan 22;52(2):416-24.