Details of the Drug

General Information of Drug (ID: DMBETU6)

• Drug Name: PMID27109571-Compound-17
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 412.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C21H19F3N6
  IUPAC Name: N,N-diethyl-4-phenyl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinolin-2-amine
  Canonical SMILES: CCN(CC)C1=NC2=C(C=C(C=C2)C(F)(F)F)C(=C1C3=NNN=N3)C4=CC=CC=C4
  InChI: InChI=1S/C21H19F3N6/c1-3-30(4-2)20-18(19-26-28-29-27-19)17(13-8-6-5-7-9-13)15-12-14(21(22,23)24)10-11-16(15)25-20/h5-12H,3-4H2,1-2H3,(H,26,27,28,29)
  InChIKey: RVTWZFXKPCJMAI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86683057
  TTD ID: D07PLJ

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.