General Information of Drug (ID: DMH42L8)

Drug Name
N-(7-methoxy-4-phenylbenzofuran-2-yl)acetamide
Synonyms CHEMBL598250
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 281.3
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H15NO3
IUPAC Name
N-(7-methoxy-4-phenyl-1-benzofuran-2-yl)acetamide
Canonical SMILES
CC(=O)NC1=CC2=C(C=CC(=C2O1)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-11(19)18-16-10-14-13(12-6-4-3-5-7-12)8-9-15(20-2)17(14)21-16/h3-10H,1-2H3,(H,18,19)
InChIKey
QFMYZXFFZWTGIP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46230982
TTD ID
D01XGG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthetic studies on selective adenosine A2A receptor antagonists: synthesis and structure-activity relationships of novel benzofuran derivatives. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1090-3.