Details of the Drug

General Information of Drug (ID: DM5WOSM)

Drug Name
2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine
Synonyms CHEMBL320805; 2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine; BDBM50091117; 2-Phenyl-2H-pyrazolo[3,4-c]quinoline-4-amine
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) 260.29
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H12N4
IUPAC Name
2-phenylpyrazolo[3,4-c]quinolin-4-amine
Canonical SMILES
C1=CC=C(C=C1)N2C=C3C4=CC=CC=C4N=C(C3=N2)N
InChI
InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)
InChIKey
MVHJGGYPZDDBQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10491577
ChEBI ID
CHEMBL320805
TTD ID
D09HAM
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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 A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [1]
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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.