Details of the Drug

General Information of Drug (ID: DMAHI7G)

Drug Name
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
Synonyms 2-Phenyl-2H-pyrazolo[4,3-c]quinoline; CHEMBL190111; ZINC13648697
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) 245.28
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H11N3
IUPAC Name
2-phenylpyrazolo[4,3-c]quinoline
Canonical SMILES
C1=CC=C(C=C1)N2C=C3C=NC4=CC=CC=C4C3=N2
InChI
InChI=1S/C16H11N3/c1-2-6-13(7-3-1)19-11-12-10-17-15-9-5-4-8-14(15)16(12)18-19/h1-11H
InChIKey
GUVLEBBZKMQLIY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11470612
TTD ID
D0F4EN

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.