Details of the Drug

General Information of Drug (ID: DMCAS85)

• Drug Name: Quinoline carboxamide derivative 3
• Synonyms: PMID26394986-Compound-30
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 466.4
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C23H13F3N4O4
  IUPAC Name: N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
  Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)NC4=NN=C(O4)C5=CC=CO5
  InChI: InChI=1S/C23H13F3N4O4/c24-23(25,26)34-14-8-9-17-15(11-14)16(12-18(27-17)13-5-2-1-3-6-13)20(31)28-22-30-29-21(33-22)19-7-4-10-32-19/h1-12H,(H,28,30,31)
  InChIKey: OGCHQJNHUGTSIR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 67204713
  TTD ID: D0D8RR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Signal transducer and activator of transcription 3 (STAT3)	TTH8FZW	STAT3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Signal transducer and activator of transcription 3 (STAT3)	DTT	STAT3	6.50E-03	-0.12	-0.21

References

• [1] A STAT inhibitor patent review: progress since 2011.Expert Opin Ther Pat. 2015;25(12):1397-421.