Details of the Drug

General Information of Drug (ID: DM4S5ME)

• Drug Name: PMID27109571-Compound-18
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 395.9
  Logarithm of the Partition Coefficient (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H19ClFN5
  IUPAC Name: 6-chloro-7-fluoro-2-pentan-3-yl-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
  Canonical SMILES: CCC(CC)C1=NC2=CC(=C(C=C2C(=C1C3=NNN=N3)C4=CC=CC=C4)Cl)F
  InChI: InChI=1S/C21H19ClFN5/c1-3-12(4-2)20-19(21-25-27-28-26-21)18(13-8-6-5-7-9-13)14-10-15(22)16(23)11-17(14)24-20/h5-12H,3-4H2,1-2H3,(H,25,26,27,28)
  InChIKey: OTAAEQZYEFGHGG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89542341
  TTD ID: D05WXM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein 4 (FABP4)	TTHWMFZ	FABP4_HUMAN	Inhibitor	[1]
Fatty acid-binding protein 5 (FABP5)	TTNT2S6	FABP5_HUMAN	Inhibitor	[1]

References

• [1] Fatty acid binding protein (FABP) inhibitors: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):767-76.