Details of the Drug

General Information of Drug (ID: DMXRTH4)

• Drug Name: PMID27109571-Compound-27
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 358.8
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H19ClN2O3
  IUPAC Name: 1-[(5-chloro-2-phenylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
  Canonical SMILES: C1CCC(C1)(C(=O)O)NC(=O)NC2=C(C=CC(=C2)Cl)C3=CC=CC=C3
  InChI: InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
  InChIKey: YBQHFZNBCISVBS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86270841
  TTD ID: D00KCT

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.