Details of the Drug

General Information of Drug (ID: DM97B2G)

Drug Name
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
Synonyms CHEMBL188052; 4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
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) 275.3
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H13N3O
IUPAC Name
4-methoxy-2-phenylpyrazolo[4,3-c]quinoline
Canonical SMILES
COC1=NC2=CC=CC=C2C3=NN(C=C31)C4=CC=CC=C4
InChI
InChI=1S/C17H13N3O/c1-21-17-14-11-20(12-7-3-2-4-8-12)19-16(14)13-9-5-6-10-15(13)18-17/h2-11H,1H3
InChIKey
LBRDTSFKAURCRO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11196622
TTD ID
D0ZF8N

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 New 2-arylpyrazolo[4,3-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. J Med Chem. 2005 Jul 28;48(15):5001-8.