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: 
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 [KO:K01980]
    Macrolides
     Erythromycin [ATC:D10AF02 J01FA01 S01AA17]
      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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