Details of the Drug

General Information of Drug (ID: DMC52VP)

• Drug Name: PMID27109571-Compound-22
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 442.5
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C23H25F3N6
  IUPAC Name: 2-cyclohexyl-4-(2-methylpyridin-4-yl)-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline
  Canonical SMILES: CC1=NC=CC(=C1)C2=C(C(=NC3=C2CC(CC3)C(F)(F)F)C4CCCCC4)C5=NNN=N5
  InChI: InChI=1S/C23H25F3N6/c1-13-11-15(9-10-27-13)19-17-12-16(23(24,25)26)7-8-18(17)28-21(14-5-3-2-4-6-14)20(19)22-29-31-32-30-22/h9-11,14,16H,2-8,12H2,1H3,(H,29,30,31,32)
  InChIKey: ALFQKPZYXQRVDU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118589197
  TTD ID: D08IIV

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.