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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL241987
CAS Number
109740-09-2
TTD ID
D06ZWQ
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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]
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.