Details of the Drug | DrugMAP

General Information of Drug (ID: DM09LY3)

Drug Name	Cycloalkyl acid derivative 2
Synonyms	PMID27414413-Compound-Figure9right
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			338.22
	Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Urate transporter URAT1 inhibitors: a patent review (2012 - 2015).Expert Opin Ther Pat. 2016 Jul 30:1-10.
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1031).
3	Clinical pipeline report, company report or official report of Chugai Pharmaceutical (2013).
4	The pathophysiology of hyperuricaemia and its possible relationship to cardiovascular disease, morbidity and mortality. BMC Nephrol. 2013; 14: 164.