Details of the Drug

General Information of Drug (ID: DM9MIC5)

Drug Name
2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine
Synonyms CHEMBL106346; 2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine; BDBM50091144; 2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine
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) 274.32
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H14N4
IUPAC Name
2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine
Canonical SMILES
CC1=CC=C(C=C1)N2C=C3C4=CC=CC=C4N=C(C3=N2)N
InChI
InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
InChIKey
XVEJYBYRDZTECS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10754789
ChEBI ID
CHEMBL106346
TTD ID
D02TEW
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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]
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.