Details of the Drug

General Information of Drug (ID: DMIJGLB)

• Drug Name: PMID27109571-Compound-19
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 408.9
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H18ClFN6
  IUPAC Name: 6-chloro-7-fluoro-4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)quinoline
  Canonical SMILES: C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=C2C4=NNN=N4)C5=CC=CC=C5)Cl)F
  InChI: InChI=1S/C21H18ClFN6/c22-15-11-14-17(12-16(15)23)24-21(29-9-5-2-6-10-29)19(20-25-27-28-26-20)18(14)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,25,26,27,28)
  InChIKey: APFHIGYPDALGOX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86683063
  TTD ID: D0RZ9C

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.