Details of the Drug

General Information of Drug (ID: DMDMEHQ)

• Drug Name: PMID27109571-Compound-29
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 376.8
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H18ClFN2O3
  IUPAC Name: 1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
  Canonical SMILES: C1CCC(C1)(C(=O)O)NC(=O)NC2=CC(=C(C=C2C3=CC=CC=C3)F)Cl
  InChI: InChI=1S/C19H18ClFN2O3/c20-14-11-16(13(10-15(14)21)12-6-2-1-3-7-12)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
  InChIKey: OZCRNUIWAXZIST-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86270939
  TTD ID: D03CJT

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.