General Information of the Compound
Compound ID
CP0674431
Compound Name
LESINURAD
    Show/Hide
Synonyms
09ERP08I3W
2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
2-(5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
878672-00-5
AK323774
C17H14BrN3O2S
LESINURAD
Lesinurad
RDEA 594
RDEA-594
RDEA594
UNII-09ERP08I3W
Zurampic
    Show/Hide
Structure
Formula
C17H14BrN3O2S
Molecular Weight
404.289
Canonical SMILES
O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
    Show/Hide
InChI
InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
    Show/Hide
InChIKey
FGQFOYHRJSUHMR-UHFFFAOYSA-N
CAS
878672-00-5
Physicochemical Property
logP
4.2371
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
68.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 53465279
ChEMBL ID
CHEMBL2105720
DrugBank ID
DB11560
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03073, Solute carrier family 22 member 12
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 5540 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 7200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 13210 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3700 nM
2 IC50 = 6700 nM
3 IC50 = 7300 nM
Clinical Information about the Compound
Drug 1 ( Lesinurad )
Drug Name Lesinurad
Company Ardea Biosciences
Indication
Hyperuricaemia
Approved
Target(s)
Urate anion exchanger 1 (URAT1)
 Target Info 
Modulator