KEGG   DRUG: D03211Help
Entry
D03211                      Drug                                   

Name
Anidulafungin (USAN);
Eraxis (TN)
Product
Formula
C58H73N7O17
Exact mass
1139.5063
Mol weight
1140.2369
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal used in the treatment of infections caused by Candida (all species), Aspergillus, and Pneumocystis
Remark
ATC code: 
Target
beta-1,3-glucan synthesis inhibitor [KO:K00706]
  Pathway
ko00500  Starch and sucrose metabolism  
 
Interaction
Drug interaction
Structure map
Antifungal agents
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
     J02AX06 Anidulafungin
      D03211  Anidulafungin (USAN)
USP drug classification [BR:br08302]
 Antifungals
  Anidulafungin
   D03211  Anidulafungin (USAN)
Antiinfectives [BR:br08307]
 Antifungals
  Cell wall biosyntehsis inhibitor
   beta-1,3-glucan synthase inhibitor [KO:K00706]
    Echinocandins
     Anidulafungin [ATC:J02AX06]
      D03211  Anidulafungin (USAN)
BRITE hierarchy
Other DBs
CAS: 
166663-25-8
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        82
            1   C8x C    38.1500  -34.4400
            2   C8x C    38.1500  -35.8400
            3   C8y C    39.3400  -36.5400
            4   C8x C    40.6000  -35.8400
            5   C8x C    40.6000  -34.4400
            6   C8y C    39.3400  -33.7400
            7   O1a O    39.3400  -32.3400
            8   C1c C    39.3400  -37.9400
            9   C1c C    38.1500  -38.6400
            10  O1a O    40.5300  -38.6400
            11  C1c C    36.8900  -37.9400
            12  N1b N    36.8900  -36.5400
            13  C5a C    35.7000  -38.6400
            14  N1b N    35.7000  -40.0400
            15  O5a O    34.5100  -37.9400
            16  C1c C    34.5100  -40.7400
            17  C5a C    33.3200  -40.0400
            18  C1c C    34.5100  -42.1400
            19  C1a C    35.7000  -42.8400
            20  O1a O    33.3200  -42.8400
            21  N1y N    32.0600  -40.7400
            22  C1y C    30.8700  -40.0400
            23  O5a O    33.3200  -38.6400
            24  C5a C    30.8700  -38.6400
            25  O5a O    32.0600  -37.9400
            26  C1y C    29.8200  -41.0200
            27  C1y C    30.3800  -42.2800
            28  C1x C    31.7800  -42.1400
            29  N1b N    29.6800  -37.9400
            30  C5a C    35.7000  -35.8400
            31  C1y C    35.7000  -34.4400
            32  N1y N    34.5100  -33.7400
            33  C5a C    33.2500  -34.4400
            34  C1c C    32.0600  -33.7400
            35  O5a O    33.2500  -35.8400
            36  C1c C    32.0600  -32.3400
            37  C1a C    33.2500  -31.6400
            38  O1a O    30.8700  -31.6400
            39  C1x C    36.7500  -33.5300
            40  C1y C    36.1900  -32.2000
            41  C1x C    34.7900  -32.4100
            42  O5a O    34.5100  -36.5400
            43  O1a O    36.8900  -31.0100
            44  N1b N    30.8700  -34.4400
            45  C5a C    29.6800  -33.7400
            46  C1c C    28.4900  -34.4400
            47  O5a O    29.6800  -32.3400
            48  N1b N    27.3000  -33.7400
            49  C1b C    28.4900  -35.8400
            50  C1c C    27.5100  -36.8200
            51  C1c C    28.2800  -38.2900
            52  O1a O    26.1100  -37.0300
            53  O1a O    27.7900  -39.6200
            54  O1a O    28.4900  -40.6700
            55  O1a O    38.1500  -40.0400
            56  C5a C    26.1100  -34.4400
            57  O5a O    26.1100  -35.8400
            58  C8y C    24.9200  -33.7400
            59  C8x C    24.9200  -32.3400
            60  C8x C    23.6600  -31.6400
            61  C8y C    22.4700  -32.3400
            62  C8x C    22.4700  -33.7400
            63  C8x C    23.6600  -34.4400
            64  C8y C    21.2800  -31.6400
            65  C8x C    21.2800  -30.2400
            66  C8x C    20.0200  -29.5400
            67  C8y C    18.8300  -30.2400
            68  C8x C    18.8300  -31.6400
            69  C8x C    20.0200  -32.3400
            70  C8y C    17.6400  -29.5400
            71  C8x C    17.6400  -28.1400
            72  C8x C    16.3800  -27.4400
            73  C8y C    15.1900  -28.1400
            74  C8x C    15.1900  -29.5400
            75  C8x C    16.3800  -30.2400
            76  O2a O    14.0000  -27.4400
            77  C1b C    12.8100  -28.1400
            78  C1b C    11.6200  -27.4400
            79  C1b C    10.4300  -28.1400
            80  C1b C     9.2400  -27.4400
            81  C1a C     8.0500  -28.1400
            82  C1a C    29.6800  -43.4700
BOND        88
            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     3   8 1
            9     8   9 1
            10    8  10 1 #Down
            11    9  11 1
            12   11  12 1 #Up
            13   11  13 1
            14   13  14 1
            15   13  15 2
            16   16  14 1 #Up
            17   16  17 1
            18   16  18 1
            19   18  19 1
            20   18  20 1 #Up
            21   17  21 1
            22   21  22 1
            23   17  23 2
            24   22  24 1 #Up
            25   24  25 2
            26   22  26 1
            27   26  27 1
            28   27  28 1
            29   21  28 1
            30   24  29 1
            31   12  30 1
            32   31  30 1 #Up
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   33  35 2
            37   34  36 1
            38   36  37 1
            39   36  38 1 #Down
            40   31  39 1
            41   39  40 1
            42   40  41 1
            43   32  41 1
            44   30  42 2
            45   40  43 1 #Down
            46   34  44 1 #Up
            47   44  45 1
            48   45  46 1
            49   45  47 2
            50   46  48 1 #Up
            51   46  49 1
            52   49  50 1
            53   29  51 1
            54   50  51 1
            55   50  52 1 #Down
            56   51  53 1 #Down
            57   26  54 1 #Down
            58    9  55 1 #Up
            59   48  56 1
            60   56  57 2
            61   56  58 1
            62   58  59 2
            63   59  60 1
            64   60  61 2
            65   61  62 1
            66   62  63 2
            67   58  63 1
            68   61  64 1
            69   64  65 2
            70   65  66 1
            71   66  67 2
            72   67  68 1
            73   68  69 2
            74   64  69 1
            75   67  70 1
            76   70  71 2
            77   71  72 1
            78   72  73 2
            79   73  74 1
            80   74  75 2
            81   70  75 1
            82   73  76 1
            83   76  77 1
            84   77  78 1
            85   78  79 1
            86   79  80 1
            87   80  81 1
            88   27  82 1 #Down

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