KEGG   DRUG: Lesinurad sodium
Entry
D09922                      Drug                                   
Name
Lesinurad sodium (USAN)
Formula
C17H13BrN3O2S. Na
Exact mass
424.9810
Mol weight
426.26
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG02042  Uricosurics
 DG03334  Urate transporter inhibitor
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: M04AB05
Chemical structure group: DG01388
Efficacy
Gout suppressant, Uricosuric, Urate transporter inhibitor, Organic anion transporter inhibitor
Target
SLC22A12 (URAT1) [HSA:116085] [KO:K08208]
SLC22A11 (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
  DG03334  Urate transporter inhibitor
   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
    SLC22A11 (OAT4)
     D09922  Lesinurad sodium (USAN)
    SLC22A12 (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
  DG03334  Urate transporter inhibitor
   DG01388  Lesinurad
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG01388  Lesinurad
Other DBs
CAS: 1151516-14-1
PubChem: 135626659
LigandBox: D09922
LinkDB
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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