Details of the Drug

General Information of Drug (ID: DM0NJYZ)

Drug Name
2-acetylaminoquinazoline-4-carboxyanilide
Synonyms CHEMBL239193; 2-acetylaminoquinazoline-4-carboxyanilide
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) 306.32
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H14N4O2
IUPAC Name
2-acetamido-N-phenylquinazoline-4-carboxamide
Canonical SMILES
CC(=O)NC1=NC2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H14N4O2/c1-11(22)18-17-20-14-10-6-5-9-13(14)15(21-17)16(23)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,23)(H,18,20,21,22)
InChIKey
BQZOPXKHGPNWQR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24749707
TTD ID
D09JKT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Scouting human A3 adenosine receptor antagonist binding mode using a molecular simplification approach: from triazoloquinoxaline to a pyrimidine sk... J Med Chem. 2007 Dec 27;50(26):6596-606.