KEGG   DRUG: BenzbromaroneHelp
Entry
D01056                      Drug                                   

Name
Benzbromarone (JP17/USAN/INN);
Uroleap (TN)
Formula
C17H12Br2O3
Exact mass
421.9153
Mol weight
424.0834
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG02042  Uricosurics
Enzyme substrate
 DG01642  CYP2C9 substrate
Enzyme inhibitor
 DG01643  CYP2C9 inhibitor
Remark
Therapeutic category: 3949
ATC code: M04AB03
Product: D01056<JP>
Efficacy
Gout suppressant, Uricosuric
Target
URAT1 [HSA:116085] [KO:K08208]
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
Drug 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
     M04AB03 Benzbromarone
      D01056  Benzbromarone (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   394  Gout preparations
    3949  Others
     D01056  Benzbromarone (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC22
    URAT1
     D01056  Benzbromarone (JP17/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01056  Benzbromarone
Drug classes of therapeutic agents [br08360.html]
 Antirheumatic and antigout agents
  D01056
BRITE hierarchy
Other DBs
CAS: 3562-84-3
PubChem: 7848119
ChEBI: 3023
ChEMBL: CHEMBL388590
LigandBox: D01056
NIKKAJI: J3.404E
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    15.0500  -18.8300
            2   C8x C    15.0500  -20.2300
            3   C8x C    16.2624  -20.9300
            4   C8y C    17.4749  -20.2300
            5   C8y C    17.4749  -18.8300
            6   C8x C    16.2624  -18.1300
            7   O2x O    18.8064  -20.6626
            8   C8y C    19.6293  -19.5300
            9   C8y C    18.8064  -18.3974
            10  C1b C    21.0000  -19.5300
            11  C1a C    21.7000  -20.7424
            12  C5a C    19.2376  -17.0706
            13  C8y C    20.6169  -16.7775
            14  C8x C    21.5795  -17.8469
            15  C8y C    22.9490  -17.5561
            16  C8y C    23.3818  -16.2247
            17  C8y C    22.4193  -15.1553
            18  C8x C    21.0498  -15.4461
            19  X   Br   22.8399  -13.8609
            20  O1a O    24.7464  -15.9350
            21  X   Br   23.8974  -18.6098
            22  O5a O    18.3111  -16.0415
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13    9  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   17  19 1
            22   16  20 1
            23   15  21 1
            24   12  22 2

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