Details of the Drug

General Information of Drug (ID: DMW5YJB)

• Drug Name: Quinoline carboxamide derivative 1
• Synonyms: PMID26394986-Compound-28
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 382.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H14N4O3
  IUPAC Name: N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
  Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN=C(O4)C5=CC=CO5
  InChI: InChI=1S/C22H14N4O3/c27-20(24-22-26-25-21(29-22)19-11-6-12-28-19)16-13-18(14-7-2-1-3-8-14)23-17-10-5-4-9-15(16)17/h1-13H,(H,24,26,27)
  InChIKey: MNPXTRXFUMGQLK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4253236
  TTD ID: D03XAK

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.