Details of the Drug

General Information of Drug (ID: DM0R5Y8)

• Drug Name: PMID27109571-Compound-21
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 374.5
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H26N6
  IUPAC Name: 2-cyclohexyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
  Canonical SMILES: C1CCC(CC1)C2=NC3=C(CCCCC3)C(=C2C4=NNN=N4)C5=CC=NC=C5
  InChI: InChI=1S/C22H26N6/c1-3-7-16(8-4-1)21-20(22-25-27-28-26-22)19(15-11-13-23-14-12-15)17-9-5-2-6-10-18(17)24-21/h11-14,16H,1-10H2,(H,25,26,27,28)
  InChIKey: FMTDJMYDWZGVPK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118589228
  TTD ID: D0U2SI

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.