Details of the Drug

General Information of Drug (ID: DMFKN1M)

Drug Name
4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
Synonyms CHEMBL62075; 4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide; BDBM50097446
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) 354.4
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H18N2O2
IUPAC Name
4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide
Canonical SMILES
COC1=CC=C(C=C1)C(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
InChIKey
MJZBWCOZBVDNSM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10760609
TTD ID
D0O8QS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [1]
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Substituted 4-phenyl-2-(phenylcarboxamido)-1,3-thiazole derivatives as antagonists for the adenosine A(1) receptor. Bioorg Med Chem Lett. 2001 Aug 6;11(15):2017-9.