KEGG   DRUG: Lesinurad sodium
Entry
D09922                      Drug                                   
Name
Lesinurad sodium (USAN)
Formula
C17H13BrN3O2S. Na
Exact mass
424.981
Mol weight
426.2628
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG02042  Uricosurics
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: M04AB05
Chemical structure group: DG01388
Efficacy
Gout suppressant, Uricosuric, Urate transporter inhibitor
Target
URAT1 [HSA:116085] [KO:K08208]
OAT4 [HSA:55867] [KO:K08207]
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M04 ANTIGOUT PREPARATIONS
   M04A ANTIGOUT PREPARATIONS
    M04AB Preparations increasing uric acid excretion
     M04AB05 Lesinurad
      D09922  Lesinurad sodium (USAN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG02042  Uricosurics
   DG01388  Lesinurad
    D09922  Lesinurad sodium
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG01388  Lesinurad
    D09922  Lesinurad sodium
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC22
    OAT4
     D09922  Lesinurad sodium (USAN)
    URAT1
     D09922  Lesinurad sodium (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09922
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG02042  Uricosurics
   DG01388  Lesinurad
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG01388  Lesinurad
Other DBs
CAS: 1151516-14-1
PubChem: 135626659
LigandBox: D09922
KCF data

ATOM        25
            1   C8x C    14.6980  -25.6865
            2   C8x C    14.6980  -27.0864
            3   C8y C    15.8879  -27.7863
            4   C8y C    17.1477  -27.0864
            5   C8y C    17.1477  -25.6865
            6   C8y C    15.8879  -24.9866
            7   C8x C    18.4075  -27.7863
            8   C8x C    19.5974  -27.0864
            9   C8x C    19.5974  -25.6865
            10  C8x C    18.4075  -24.9866
            11  N4y N    15.8879  -23.5868
            12  C8y C    17.0077  -22.7469
            13  N5x N    16.5878  -21.4871
            14  N5x N    15.1880  -21.4871
            15  C8y C    14.7680  -22.7469
            16  S2a S    18.2675  -23.4468
            17  C1b C    19.4574  -22.7469
            18  C6a C    20.6472  -23.4468
            19  O6a O    21.8371  -22.7469 #-
            20  O6a O    20.6472  -24.8467
            21  X   Br   13.4382  -23.1669
            22  C1y C    15.8879  -29.1861
            23  C1x C    15.1880  -30.4459
            24  C1x C    16.5878  -30.4459
            25  Z   Na   23.3769  -22.7469 #+
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    6  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   11  15 1
            18   12  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   15  21 1
            24    3  22 1
            25   22  23 1
            26   22  24 1
            27   23  24 1

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