Details of the Drug

General Information of Drug (ID: DMUKOGJ)

• Drug Name: PMID27109571-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 375.2
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H16Cl2N2O2
  IUPAC Name: 6,8-dichloro-2-[ethyl(methyl)amino]-4-phenylquinoline-3-carboxylic acid
  Canonical SMILES: CCN(C)C1=C(C(=C2C=C(C=C(C2=N1)Cl)Cl)C3=CC=CC=C3)C(=O)O
  InChI: InChI=1S/C19H16Cl2N2O2/c1-3-23(2)18-16(19(24)25)15(11-7-5-4-6-8-11)13-9-12(20)10-14(21)17(13)22-18/h4-10H,3H2,1-2H3,(H,24,25)
  InChIKey: RNRWKMXASDHXSW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71556619
  TTD ID: D0ND3H

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.