Details of the Drug

General Information of Drug (ID: DM435GR)

• Drug Name: PMID27109571-Compound-25
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 404.5
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H28N6O
  IUPAC Name: [1-[4-(2-methylpyridin-4-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]cyclopentyl]methanol
  Canonical SMILES: CC1=NC=CC(=C1)C2=C(C(=NC3=C2CCCCC3)C4(CCCC4)CO)C5=NNN=N5
  InChI: InChI=1S/C23H28N6O/c1-15-13-16(9-12-24-15)19-17-7-3-2-4-8-18(17)25-21(20(19)22-26-28-29-27-22)23(14-30)10-5-6-11-23/h9,12-13,30H,2-8,10-11,14H2,1H3,(H,26,27,28,29)
  InChIKey: JDONBBWFRSZVOY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90043846
  TTD ID: D01NVM

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.