Details of the Drug

General Information of Drug (ID: DM09LY3)

• Drug Name: Cycloalkyl acid derivative 2
• Synonyms: PMID27414413-Compound-Figure9right
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 338.22
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H12BrNO2S
  IUPAC Name: 1-(6-bromoquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
  Canonical SMILES: C1CC(C1)(C(=O)O)SC2=C3C=C(C=CC3=NC=C2)Br
  InChI: InChI=1S/C14H12BrNO2S/c15-9-2-3-11-10(8-9)12(4-7-16-11)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)
  InChIKey: QGBWIYLNOBYNDL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86294127
  CAS Number: 1638327-48-6
  TTD ID: D03UNB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Urate anion exchanger 1 (URAT1)	TTA592U	S22AC_HUMAN	Inhibitor	[1]

References

• [1] Urate transporter URAT1 inhibitors: a patent review (2012 - 2015).Expert Opin Ther Pat. 2016 Jul 30:1-10.