Details of the Drug

General Information of Drug (ID: DMFE2R1)

• Drug Name: 2-phenyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
• Synonyms: 2-phenyl-2,5-dihydro-4H-pyrazolo[3,4-c]quinolin-4-one; 109740-09-2; CHEMBL241987; 2-phenyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one; 2-phenyl-2H,4H,5H-pyrazolo[3,4-c]quinolin-4-one; AC1NLR9L; AC1Q6GQQ; 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one; MLS001176701; SCHEMBL728937; cid_4962866; CTK7H0251; DTXSID10407182; ISMLHIIGSRUCOQ-UHFFFAOYSA-N; MolPort-002-469-503; HMS2920J03; HMS1784C01; ZINC3888482; BDBM50218922; AKOS027391050; NE38059; MCULE-7237346858; SMR000595674; EN300-14160; SR-01000074278; SR-01000074278-1; J-002324

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 261.279
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H11N3O
  IUPAC Name: 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
  Canonical SMILES: C1=CC=C(C=C1)N2C=C3C4=CC=CC=C4NC(=O)C3=N2
  InChI: InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
  InChIKey: ISMLHIIGSRUCOQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4962866
  CAS Number: 109740-09-2
  TTD ID: D06ZWQ

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]

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.