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
  ChEBI ID: CHEMBL5270510
  TTD ID: D08IIV
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.