Details of the Drug

General Information of Drug (ID: DM6HWBK)

• Drug Name: PMID27109571-Compound-12
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 323.8
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H14ClNO2
  IUPAC Name: 6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid
  Canonical SMILES: C1CC1C2=NC3=C(C=C(C=C3)Cl)C(=C2C(=O)O)C4=CC=CC=C4
  InChI: InChI=1S/C19H14ClNO2/c20-13-8-9-15-14(10-13)16(11-4-2-1-3-5-11)17(19(22)23)18(21-15)12-6-7-12/h1-5,8-10,12H,6-7H2,(H,22,23)
  InChIKey: OKOHKZNRTKWMBM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71556165
  TTD ID: D09VOD

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.