KEGG   DRUG: Rezafungin acetate
Entry
D11198                      Drug                                   
Name
Rezafungin acetate (USAN);
Rezzayo (TN)
Product
REZZAYO (Melinta Therapeutics)
Formula
C63H85N8O17. C2H3O2
Exact mass
1284.6166
Mol weight
1285.4364
Structure
Simcomp
Remark
ATC code: J02AX08
Chemical structure group: DG02946
Product (DG02946): D11198<US>
Efficacy
Antifungal
  Disease
Candidemia and invasive candidiasis [DS:H00363]
Comment
Treatment of candidemia and invasive candiasis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AX Other antimycotics for systemic use
     J02AX08 Rezafungin acetate
      D11198  Rezafungin acetate (USAN) <US>
Antimicrobials [BR:br08307]
 Antifungals
  Cell membrane function inhibitor
   Echinocandin
    D11198  Rezafungin acetate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11198
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11198
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11198
Other DBs
CAS: 1631754-41-0
PubChem: 384585177
LinkDB
KCF data

ATOM        92
            1   C1c C    20.1531   -6.5070
            2   C5a C    20.1531   -7.9067
            3   O5a O    17.7037   -7.9067
            4   C5a C    17.7037   -6.5070
            5   N1b N    18.9634   -5.8072
            6   C5a C    15.3243   -7.9067
            7   N1b N    15.3243   -6.5070
            8   C1c C    16.5140   -5.8072
            9   C5a C    15.3243  -10.7059
            10  N1y N    14.0647  -10.0061
            11  C1y C    14.0647   -8.6065
            12  N1b N    16.5140  -12.8054
            13  C1c C    15.3243  -12.1056
            14  N1y N    21.3428   -8.6065
            15  C1y C    21.3428  -10.0061
            16  C5a C    20.1531  -10.7059
            17  O5a O    16.5140   -8.6065
            18  O5a O    18.9634   -8.6065
            19  O5a O    18.9634  -10.0061
            20  O5a O    16.5140  -10.0061
            21  C1c C    14.1346  -12.8054
            22  C5a C    16.5140  -14.2050
            23  C1c C    17.7037  -14.9048
            24  O5a O    15.3243  -14.9048
            25  C1b C    18.8934  -14.2050
            26  C1c C    20.0831  -14.9048
            27  C1c C    21.2728  -13.6452
            28  C1c C    16.5140   -4.4076
            29  C1c C    15.3243   -3.7077
            30  C8y C    14.1346   -4.4076
            31  C8x C    14.1346   -5.8072
            32  C8x C    12.8750   -6.5070
            33  C8y C    11.6853   -5.8072
            34  C8x C    11.6853   -4.4076
            35  C8x C    12.8750   -3.7077
            36  O1a O    10.4956   -6.5070
            37  O1a O    15.3243   -2.3081
            38  O1a O    17.7037   -3.7077
            39  C1x C    12.7350  -10.4260
            40  C1y C    11.9652   -9.3063
            41  C1x C    12.7350   -8.1866
            42  O1a O    10.5656   -9.3063
            43  C1a C    12.9449  -12.1056
            44  O1a O    14.1346  -14.2050
            45  N1b N    17.7037  -16.3045
            46  O1a O    20.0831  -16.3045
            47  C1c C    21.3428   -5.8072
            48  C1a C    22.5325   -6.5070
            49  O1a O    21.3428   -4.4076
            50  C1x C    22.6724   -8.1866
            51  C1y C    23.5122   -9.3063
            52  C1y C    22.6724  -10.4260
            53  C1a C    24.9118   -9.3063
            54  O1a O    23.0923  -11.7557
            55  N1b N    20.1531  -12.1056
            56  O2a O    22.6724  -13.6452
            57  C1b C    23.3722  -14.9048
            58  C1b C    24.7719  -14.9048
            59  N1d N    25.4717  -16.0945 #+
            60  C1a C    26.8013  -16.0945
            61  C1a C    24.7719  -17.3542
            62  C1a C    26.1015  -17.2842
            63  C5a C    16.5140  -17.0043
            64  O5a O    15.3243  -16.3045
            65  C8y C    16.5140  -18.3339
            66  C8x C    17.7037  -19.0338
            67  C8x C    17.7037  -20.4334
            68  C8y C    16.5140  -21.1332
            69  C8x C    15.2543  -20.4334
            70  C8x C    15.2543  -19.0338
            71  C8y C    16.5140  -22.5329
            72  C8x C    17.7037  -23.2327
            73  C8x C    17.7037  -24.6323
            74  C8y C    16.5140  -25.3321
            75  C8x C    15.3243  -24.6323
            76  C8x C    15.3243  -23.2327
            77  C8y C    16.5140  -26.7318
            78  C8x C    17.7037  -27.4316
            79  C8x C    17.7037  -28.8312
            80  C8y C    16.5140  -29.5310
            81  C8x C    15.3243  -28.8312
            82  C8x C    15.3243  -27.4316
            83  O2a O    16.5140  -30.9307
            84  C1b C    15.3243  -31.6305
            85  C1b C    14.1346  -30.9307
            86  C1b C    12.9449  -31.6305
            87  C1b C    11.7553  -30.9307
            88  C1a C    10.5656  -31.6305
            89  C6a C    25.9000  -21.9100
            90  O6a O    27.1124  -22.6100 #-
            91  C1a C    24.6876  -22.6100
            92  O6a O    25.9000  -20.5100
BOND        97
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     4   8 1
            8     9  10 1
            9    10  11 1
            10    6  11 1
            11   12  13 1
            12    9  13 1
            13    2  14 1
            14   14  15 1
            15   15  16 1
            16    6  17 2
            17    2  18 2
            18   16  19 2
            19    9  20 2
            20   13  21 1
            21   12  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27    8  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 2
            35   30  35 1
            36   33  36 1
            37   29  37 1 #Down
            38   28  38 1 #Up
            39   10  39 1
            40   39  40 1
            41   40  41 1
            42   11  41 1
            43   40  42 1 #Down
            44   21  43 1
            45   21  44 1 #Down
            46   23  45 1 #Down
            47    1  47 1
            48   47  48 1
            49   47  49 1 #Down
            50   14  50 1
            51   50  51 1
            52   51  52 1
            53   15  52 1
            54   51  53 1 #Down
            55   52  54 1 #Down
            56   16  55 1
            57   55  27 1
            58   27  56 1 #Up
            59   56  57 1
            60   26  46 1 #Down
            61   57  58 1
            62   58  59 1
            63   59  60 1
            64   59  61 1
            65   59  62 1
            66   45  63 1
            67   63  64 2
            68   63  65 1
            69   65  66 2
            70   66  67 1
            71   67  68 2
            72   68  69 1
            73   69  70 2
            74   65  70 1
            75   68  71 1
            76   71  72 2
            77   72  73 1
            78   73  74 2
            79   74  75 1
            80   75  76 2
            81   71  76 1
            82   74  77 1
            83   77  78 2
            84   78  79 1
            85   79  80 2
            86   80  81 1
            87   81  82 2
            88   77  82 1
            89   80  83 1
            90   83  84 1
            91   84  85 1
            92   85  86 1
            93   86  87 1
            94   87  88 1
            95   89  90 1
            96   89  91 1
            97   89  92 2

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