Details of the Drug

General Information of Drug (ID: DMA32GJ)

Drug Name
Sulfonamide derivative 10
Synonyms PMID27414413-Compound-Figure3bottomleft
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 428.8
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
C19H10ClFN4O3S
IUPAC Name
4-(3-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoropyridin-2-yl)benzenesulfonamide
Canonical SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=C(C=C3)F)C#N)Cl)C#N
InChI
InChI=1S/C19H10ClFN4O3S/c20-17-8-15(3-1-12(17)9-22)28-18-5-4-16(7-13(18)10-23)29(26,27)25-19-6-2-14(21)11-24-19/h1-8,11H,(H,24,25)
InChIKey
ABKCBHGHCYFDNT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
86294663
TTD ID
D0HG2S

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]
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.