KEGG   DRUG: AnidulafunginHelp
Entry
D03211                      Drug                                   

Name
Anidulafungin (USAN);
Eraxis (TN)
Product
Formula
C58H73N7O17
Exact mass
1139.5063
Mol weight
1140.2369
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Activity
Antifungal, Cell wall biosyntehsis inhibitor
Comment
Echinocandins
Treatment of infections caused by Candida (all species), Aspergillus, and Pneumocystis
Target
beta-1,3-glucan synthase [KO:K00706]
  Pathway
Starch and sucrose metabolism
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
    Echinocandins
     Anidulafungin
      D03211  Anidulafungin (USAN)
Antifungals [br08352.html]
 D03211
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D03211
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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