Details of the Drug | DrugMAP

General Information of Drug (ID: DMTZNSM)

Drug Name	PMID27414413-Compound-Figure8right
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			298.3
	Topological Polar Surface Area (xlogp)			3.3
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C15H10N2O3S IUPAC Name 4-(6-cyano-2-methylthieno[3,2-b]pyrrol-4-yl)-2-hydroxybenzoic acid Canonical SMILES CC1=CC2=C(S1)C(=CN2C3=CC(=C(C=C3)C(=O)O)O)C#N InChI InChI=1S/C15H10N2O3S/c1-8-4-12-14(21-8)9(6-16)7-17(12)10-2-3-11(15(19)20)13(18)5-10/h2-5,7,18H,1H3,(H,19,20) InChIKey CBQIUEMJMYALSV-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71532153 TTD ID D0D5YG

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.