Details of the Drug | DrugMAP

General Information of Drug (ID: DMJBR86)

Drug Name	Sulfonamide derivative 11
Synonyms	PMID27414413-Compound-Figure3bottomright
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			416.9
	Topological Polar Surface Area (xlogp)			3.4
	Rotatable Bond Count (rotbonds)			5
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			8
Chemical Identifiers	Formula C17H9ClN4O3S2 IUPAC Name 4-(3-chloro-4-cyanophenoxy)-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide Canonical SMILES C1=CC(=C(C=C1OC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=CS3)C#N)Cl)C#N InChI InChI=1S/C17H9ClN4O3S2/c18-15-8-13(2-1-11(15)9-19)25-16-4-3-14(7-12(16)10-20)27(23,24)22-17-21-5-6-26-17/h1-8H,(H,21,22) InChIKey JONVMVCPXBMHHN-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 86282507 TTD ID D02JOK

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.