KEGG   DRUG: D04054Help
Entry
D04054                      Drug                                   

Name
Erythromycin salnacedin (USAN);
Erythromycin salnacedin dihydrate
Formula
C37H67NO13. C12H13NO5S. 2H2O
Exact mass
1052.5338
Mol weight
1053.2577
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-acne, Antibacterial
Remark
ATC code: 
Drug group: 
Target
23S rRNA of 50S ribosomal subunit, protein synthesis inhibitor [KO:K01980]
  Pathway
ko03010  Ribosome  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A7 [HSA:1551]
Transporter: OAT2 [HSA:10864]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551], CYP2C19 [HSA:1557]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AF Antiinfectives for treatment of acne
     D10AF02 Erythromycin
      D04054  Erythromycin salnacedin (USAN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA01 Erythromycin
      D04054  Erythromycin salnacedin (USAN)
USP drug classification [BR:br08302]
 Antibacterials
  Macrolides
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   23S rRNA of 50S ribosomal subunit inhibitor
    Macrolides
     Erythromycin
      D04054  Erythromycin salnacedin (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
  CYP3A5
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
  CYP3A7
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
 Inhbitors
  CYP2C19
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
  CYP3A4
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
  CYP3A7
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
  CYP3A
   Erythromycin
    D04054  Erythromycin salnacedin (USAN)
BRITE hierarchy
Other DBs
CAS: 
149908-23-6
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        72
            1   C8x C    31.3154  -18.2114
            2   C8x C    31.3154  -19.6133
            3   C8x C    32.5294  -20.3142
            4   C8x C    33.7436  -19.6133
            5   C8y C    33.7436  -18.2114
            6   C8y C    32.5294  -17.5104
            7   O1a O    32.5294  -16.1087
            8   C5a C    34.9764  -17.4994
            9   S2a S    36.1832  -18.1960
            10  O5a O    34.9761  -16.1086
            11  C1b C    37.3671  -17.5123
            12  C1c C    38.5628  -18.2025
            13  C6a C    39.7523  -17.5156
            14  O6a O    40.9450  -18.2042
            15  O6a O    39.7524  -16.1087
            16  N1b N    38.5630  -19.6130
            17  C5a C    39.7563  -20.3020
            18  O5a O    40.9430  -19.6168
            19  C1a C    39.7566  -21.7158
            20  O0  O    38.1829  -13.4604
            21  C1y C    23.6603  -13.2465
            22  C1z C    23.6603  -11.8833
            23  C1y C    22.4762  -13.9224
            24  O2a O    25.6415  -13.9628
            25  C1x C    22.4762  -11.2017
            26  O1a O    24.6884  -10.8956
            27  C1a C    24.9426  -12.3164
            28  C1y C    22.4762  -15.2856
            29  C1a C    21.5055  -12.9007
            30  C1y C    27.2193  -13.2480
            31  C1y C    22.4762   -9.8327
            32  O2a O    23.2156  -16.6430
            33  C1y C    21.3036  -15.9673
            34  C1y C    28.3874  -13.9392
            35  O2x O    27.2313  -11.8853
            36  C5x C    21.3036   -9.1568
            37  C1a C    23.6603   -9.1568
            38  C1y C    24.7316  -17.0609
            39  C7x C    20.1195  -15.2856
            40  C1a C    21.3036  -17.3303
            41  C1y C    29.5729  -13.2776
            42  O1a O    28.3783  -15.3069
            43  C1y C    28.4217  -11.2210
            44  C1y C    20.1195   -9.8327
            45  O5x O    21.3036   -7.7936
            46  C1x C    24.7316  -18.4184
            47  O2x O    25.9158  -16.3794
            48  O7x O    20.1195  -13.9224
            49  O6a O    19.0624  -16.2329
            50  C1x C    29.5173  -11.9200
            51  N1c N    30.7458  -13.9660
            52  C1a C    28.4414   -9.8605
            53  C1y C    20.1195  -11.2017
            54  C1a C    18.9412   -9.1568
            55  C1z C    25.9158  -19.1058
            56  C1y C    27.0882  -17.0609
            57  C1y C    18.9412  -13.2465
            58  C1z C    18.9412  -11.8833
            59  O1a O    21.3036  -11.8833
            60  C1y C    27.0882  -18.4184
            61  O2a O    25.9158  -20.4286
            62  C1a C    27.3598  -20.0878
            63  C1a C    28.2724  -16.3852
            64  C1b C    17.7627  -13.9224
            65  C1a C    17.6935  -12.4492
            66  O1a O    17.6935  -11.1960
            67  O1a O    28.2724  -19.1058
            68  C1a C    27.0132  -21.3875
            69  C1a C    17.7977  -15.0429
            70  C1a C    31.9921  -13.2585
            71  C1a C    30.7364  -15.3277
            72  O0  O    38.1829  -13.4604
BOND        72
            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     6   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 2
            16   12  16 1 #Up
            17   16  17 1
            18   17  18 2
            19   17  19 1
            20   21  22 1
            21   21  23 1
            22   21  24 1 #Down
            23   22  25 1
            24   22  26 1 #Up
            25   22  27 1 #Down
            26   23  28 1
            27   23  29 1 #Down
            28   30  24 1 #Down
            29   25  31 1
            30   28  32 1 #Down
            31   28  33 1
            32   30  34 1
            33   30  35 1
            34   31  36 1
            35   31  37 1 #Down
            36   38  32 1 #Down
            37   33  39 1
            38   33  40 1 #Up
            39   34  41 1
            40   34  42 1 #Up
            41   35  43 1
            42   36  44 1
            43   36  45 2
            44   38  46 1
            45   38  47 1
            46   39  48 1
            47   39  49 2
            48   41  50 1
            49   41  51 1 #Down
            50   43  52 1 #Down
            51   44  53 1
            52   44  54 1 #Up
            53   46  55 1
            54   47  56 1
            55   48  57 1
            56   53  58 1
            57   53  59 1 #Up
            58   55  60 1
            59   55  61 1 #Down
            60   55  62 1
            61   56  63 1 #Up
            62   57  64 1 #Down
            63   58  65 1 #Down
            64   58  66 1 #Up
            65   60  67 1 #Down
            66   61  68 1
            67   64  69 1
            68   43  50 1
            69   56  60 1
            70   57  58 1
            71   51  70 1
            72   51  71 1
BRACKET     1    35.8400  -14.3500   35.8400  -12.5300
            1    38.9900  -12.5300   38.9900  -14.3500
            1  2
 ORIGINAL  1   20
 REPEAT    1   72

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