Details of the Drug

General Information of Drug (ID: DM6E04T)

Drug Name
2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
Synonyms CHEMBL242205; 2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
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) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H13N3O
IUPAC Name
2-benzyl-5H-pyrazolo[3,4-c]quinolin-4-one
Canonical SMILES
C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4NC(=O)C3=N2
InChI
InChI=1S/C17H13N3O/c21-17-16-14(13-8-4-5-9-15(13)18-17)11-20(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,21)
InChIKey
XJRYZVBNFXKWFF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10636110
TTD ID
D0RI4S

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[3,4-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. Synthesis, pharmacological evaluati... J Med Chem. 2007 Aug 23;50(17):4061-74.