Details of the Drug

General Information of Drug (ID: DM4HUO1)

• Drug Name: 7-(2-(1H-imidazol-1-yl)ethoxy)-2H-chromen-2-one
• Synonyms: Coumarin deriv. 29; CHEMBL390152; BDBM9480

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); 256.26
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H12N2O3
  IUPAC Name: 7-(2-imidazol-1-ylethoxy)chromen-2-one
  Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OCCN3C=CN=C3
  InChI: InChI=1S/C14H12N2O3/c17-14-4-2-11-1-3-12(9-13(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2
  InChIKey: JUOCDQIZOPYANC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11230598
  TTD ID: D07TUX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

References

• [1] Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. J Med Chem. 2004 Dec 30;47(27):6792-803.