Details of the Drug

General Information of Drug (ID: DML49UI)

• Drug Name: PMID27109571-Compound-23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 374.5
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H26N6
  IUPAC Name: 2-cyclopentyl-6-methyl-4-(2-methylpyridin-4-yl)-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
  Canonical SMILES: CC1CCC2=C(C1)C(=C(C(=N2)C3CCCC3)C4=NNN=N4)C5=CC(=NC=C5)C
  InChI: InChI=1S/C22H26N6/c1-13-7-8-18-17(11-13)19(16-9-10-23-14(2)12-16)20(22-25-27-28-26-22)21(24-18)15-5-3-4-6-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,25,26,27,28)
  InChIKey: LSPFDXQDUWKIKF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 73295099
  TTD ID: D0R9RK

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.