KEGG   DRUG: Roxithromycin
Entry
D01710                      Drug                                   
Name
Roxithromycin (JP18/USAN/INN);
Rulide (TN)
Formula
C41H76N2O15
Exact mass
836.5246
Mol weight
837.0465
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01874  14-membered ring macrolide antibiotic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Same as: C13173
Therapeutic category: 6149
ATC code: J01FA06
Product: D01710<JP>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA06 Roxithromycin
      D01710  Roxithromycin (JP18/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   614  Acting mainly on gram-positive bacteria and mycoplasma
    6149  Others
     D01710  Roxithromycin (JP18/USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01874  14-membered ring macrolide antibiotic
    D01710  Roxithromycin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D01710  Roxithromycin
Drug classes [BR:br08332]
 Antibacterial
  DG01551  Macrolide antibiotic
   D01710  Roxithromycin
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D01710  Roxithromycin (JP18/USAN/INN) <JP>
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D01710  Roxithromycin (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01710  Roxithromycin
  D01710  Roxithromycin tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01710
Other DBs
CAS: 80214-83-1
PubChem: 7848773
ChEBI: 32109
PDB-CCD: ROX[PDBj]
LigandBox: D01710
NIKKAJI: J227.543K
KCF data

ATOM        58
            1   C1y C    17.9872  -14.8169
            2   C1z C    17.9872  -13.4483
            3   C1y C    16.7984  -15.4957
            4   O2a O    19.9051  -15.5361
            5   C1x C    16.7984  -12.7640
            6   O1a O    19.0196  -12.4568
            7   C1a C    19.2747  -13.8833
            8   C1y C    16.7984  -16.8643
            9   C1a C    15.8237  -14.5393
            10  C1y C    21.1345  -14.8169
            11  C1y C    16.7984  -11.3896
            12  O2a O    17.5407  -18.2271
            13  C1y C    15.6210  -17.5487
            14  C1y C    21.8305  -15.9886
            15  O2x O    21.8015  -13.6225
            16  C2y C    15.6210  -10.7110
            17  C1a C    17.9872  -10.7110
            18  C1y C    18.5731  -19.3463
            19  C7x C    14.4322  -16.8643
            20  C1a C    15.6210  -18.9171
            21  C1y C    23.1934  -15.9764
            22  O1a O    21.1636  -17.1890
            23  C1y C    23.1702  -13.6803
            24  C1y C    14.4322  -11.3896
            25  N2b N    15.6210   -9.3424
            26  C1x C    18.5731  -20.7093
            27  O2x O    19.7619  -18.6621
            28  O7x O    14.4322  -15.4957
            29  O6a O    13.3710  -17.8154
            30  C1x C    23.8603  -14.7882
            31  N1c N    23.8950  -17.1484
            32  C1a C    23.8430  -12.4219
            33  C1y C    14.4322  -12.7640
            34  C1a C    13.2493  -10.7110
            35  C1z C    19.7619  -21.3993
            36  C1y C    20.9392  -19.3463
            37  C1y C    13.2493  -14.8169
            38  C1a C    24.8404  -18.5287
            39  C1a C    25.2580  -17.1311
            40  C1z C    13.2493  -13.4483
            41  O1a O    15.6210  -13.4483
            42  C1y C    20.9392  -20.7093
            43  O2a O    19.7619  -22.7274
            44  C1a C    21.2118  -22.3852
            45  C1a C    22.1280  -18.6678
            46  C1b C    12.0661  -15.4957
            47  C1a C    11.9967  -14.0167
            48  O1a O    11.9967  -12.7583
            49  O1a O    22.1280  -21.3993
            50  C1a C    20.8638  -23.6900
            51  C1a C    12.1009  -16.6206
            52  O2a O    16.8085   -8.6737
            53  C1b C    18.0201   -9.3732
            54  O2a O    19.2316   -8.6737
            55  C1b C    20.4431   -9.3732
            56  C1b C    21.6548   -8.6737
            57  O2a O    22.8663   -9.3732
            58  C1a C    24.0778   -8.6737
BOND        60
            1     3   8 1
            2     3   9 1 #Down
            3    10   4 1 #Down
            4     5  11 1
            5     8  12 1 #Down
            6     8  13 1
            7    10  14 1
            8    10  15 1
            9    11  16 1
            10   11  17 1 #Down
            11   18  12 1 #Down
            12   13  19 1
            13   13  20 1 #Up
            14   14  21 1
            15   14  22 1 #Up
            16   15  23 1
            17   16  24 1
            18   16  25 2
            19   18  26 1
            20   18  27 1
            21   19  28 1
            22   19  29 2
            23   21  30 1
            24   21  31 1 #Down
            25   23  32 1 #Down
            26   24  33 1
            27   24  34 1 #Up
            28   26  35 1
            29   27  36 1
            30   28  37 1
            31   31  38 1
            32   31  39 1
            33   33  40 1
            34   33  41 1 #Up
            35   35  42 1
            36   35  43 1 #Down
            37   35  44 1 #Up
            38   36  45 1 #Up
            39   37  46 1 #Down
            40   40  47 1 #Down
            41   40  48 1 #Up
            42   42  49 1 #Down
            43   43  50 1
            44   46  51 1
            45   23  30 1
            46   36  42 1
            47   37  40 1
            48    1   2 1
            49    1   3 1
            50    1   4 1 #Down
            51    2   5 1
            52    2   6 1 #Up
            53    2   7 1 #Down
            54   25  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1

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