KEGG   DRUG: Rifaximin
Entry
D02554                      Drug                                   

Name
Rifaximin (JAN/USAN/INN);
Xifaxan (TN)
Product
Formula
C43H51N3O11
Exact mass
785.3524
Mol weight
785.8785
Structure
Simcomp
Class
Antibacterial
 DG01598  Rifamycin antibiotic
 DG01966  Antitubercular
  DG01598  Rifamycin antibiotic
Remark
Therapeutic category: 6199
ATC code: A07AA11 D06AX11
Product: D02554<JP/US>
Efficacy
Antibacterial, Antihyperammonemic
  Disease
Hepatic encephalopathy [DS:H01506]
Comment
Rifamycin derivative
Target
DNA-directed RNA polymerase subunit beta [KO:K03043]
  Pathway
ko03020  RNA polymerase
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243], SLCO1A2 [HSA:6579], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
CYP induction: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243], SLCO1A2 [HSA:6579], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Structure map
map07023  Rifamycins
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA11 Rifaximin
      D02554  Rifaximin (JAN/USAN/INN) <JP/US>
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06A ANTIBIOTICS FOR TOPICAL USE
    D06AX Other antibiotics for topical use
     D06AX11 Rifaximin
      D02554  Rifaximin (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Rifaximin
    D02554  Rifaximin (JAN/USAN/INN)
 Gastrointestinal Agents
  Anti-Diarrheal Agents
   Rifaximin
    D02554  Rifaximin (JAN/USAN/INN)
  Gastrointestinal Agents, Other
   Rifaximin
    D02554  Rifaximin (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   619  Miscellaneous
    6199  Miscellaneous
     D02554  Rifaximin (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02554
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02554
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02554
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02554
 Drug transporters
  D02554
Other DBs
CAS: 80621-81-4
PubChem: 17396725
ChEBI: 75246
ChEMBL: CHEMBL1617
DrugBank: DB01220
PDB-CCD: RXM[PDBj]
LigandBox: D02554
NIKKAJI: J171.233K
LinkDB
KCF data

ATOM        57
            1   C1c C    32.1192  -10.8276
            2   C1c C    32.1192  -12.2327
            3   O1a O    34.4611  -12.1658
            4   C1c C    34.4611  -10.8276
            5   C1c C    33.2567  -10.1584
            6   C2b C    36.7362  -10.8276
            7   C1c C    35.5987  -10.1584
            8   C5a C    37.9406  -12.9019
            9   C2c C    39.0781  -12.2327
            10  C2b C    39.0781  -10.8276
            11  C2b C    37.9406  -10.1584
            12  C1a C    35.5987   -8.8202
            13  C1a C    33.2567   -8.8202
            14  O1a O    30.9817  -10.1584
            15  C1a C    40.2157  -12.9019
            16  O5a O    36.8031  -12.2327
            17  N1b N    37.9406  -14.5078
            18  C1c C    30.9817  -12.9019
            19  O7a O    29.8441  -12.2327
            20  C1c C    30.9817  -14.5078
            21  C8y C    36.8031  -15.1769
            22  C8y C    36.8031  -16.5152
            23  C8y C    35.5987  -14.5078
            24  C8y C    34.4611  -15.1769
            25  C8y C    34.4611  -16.5152
            26  C8y C    35.5987  -17.1843
            27  C8y C    33.3236  -14.5078
            28  C8y C    32.1192  -15.1769
            29  C8y C    32.1192  -16.5152
            30  C8y C    33.3236  -17.1843
            31  O1a O    35.5987  -13.1695
            32  O1a O    33.3236  -13.1695
            33  C1a C    30.9817  -11.1621
            34  C7a C    28.6397  -11.5636
            35  C1a C    27.5022  -12.2327
            36  O6a O    28.6397  -10.2253
            37  C1c C    29.8441  -15.1769
            38  O2a O    28.7066  -14.5078
            39  C2b C    29.8441  -16.5152
            40  C1a C    29.8441  -13.5710
            41  C1a C    27.5691  -15.1769
            42  C2b C    28.7066  -17.1843
            43  O2a O    28.7066  -18.5226
            44  O2x O    30.9817  -17.1843
            45  C1z C    30.9817  -18.5226
            46  C5x C    33.3236  -18.5226
            47  C1a C    30.9817  -19.8608
            48  C1a C    32.1192  -13.8387
            49  N5x N    35.5987  -18.5226
            50  C8y C    37.9406  -18.5226
            51  N4y N    37.9406  -17.1843
            52  O5x O    34.3942  -19.1917
            53  C8x C    39.1530  -19.2226
            54  C8y C    40.3655  -18.5226
            55  C8x C    40.3655  -17.1843
            56  C8x C    39.1530  -16.4843
            57  C1a C    41.6083  -19.2398
BOND        62
            1     1   2 1
            2     4   3 1 #Down
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     4   7 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    6  11 2
            11    7  12 1 #Up
            12    5  13 1 #Down
            13    1  14 1 #Down
            14    9  15 1
            15    8  16 2
            16    8  17 1
            17    2  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   17  21 1
            21   21  22 1
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   24  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   25  30 2
            31   23  31 1
            32   27  32 1
            33    2  33 1 #Up
            34   19  34 1
            35   34  35 1
            36   34  36 2
            37   26  22 2
            38   20  37 1
            39   37  38 1 #Down
            40   37  39 1
            41   20  40 1 #Down
            42   38  41 1
            43   39  42 2
            44   42  43 1
            45   29  44 1
            46   44  45 1
            47   43  45 1
            48   30  46 1
            49   45  46 1
            50   45  47 1 #Down
            51   28  48 1
            52   26  49 1
            53   50  51 1
            54   22  51 1
            55   52  46 2
            56   49  50 2
            57   50  53 1
            58   53  54 2
            59   54  55 1
            60   55  56 2
            61   51  56 1
            62   54  57 1

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