KEGG   DRUG: D02501Help
Entry
D02501                      Drug                                   

Name
Caspofungin acetate (JAN/USAN);
Cancidas (TN)
Product
Formula
C52H88N10O15. (C2H4O2)2
Exact mass
1212.6853
Mol weight
1213.417
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal [beta-1,3-glucan synthesis inhibitor] [DS:H00363]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
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
     J02AX04 Caspofungin
      D02501  Caspofungin acetate (JAN/USAN)
USP drug classification [BR:br08302]
 Antifungals
  Caspofungin
   D02501  Caspofungin acetate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   617  Acting mainly on mold
    6179  Others
     D02501  Caspofungin acetate (JAN/USAN)
Antiinfectives [BR:br08307]
 Antifungals
  Cell wall biosyntehsis inhibitor
   beta-1,3-glucan synthase inhibitor
    Echinocandins
     Caspofungin
      D02501  Caspofungin acetate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
179463-17-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        85
            1   C6a C    15.5693  -40.6869
            2   O6a O    16.7547  -41.3714
            3   C1a C    14.3839  -41.3714
            4   O6a O    15.5693  -39.3181
            5   C8x C    39.8300  -33.2500
            6   C8x C    39.8300  -34.6500
            7   C8y C    41.0200  -35.3500
            8   C8x C    42.2800  -34.6500
            9   C8x C    42.2800  -33.2500
            10  C8y C    41.0200  -32.5500
            11  O1a O    41.0200  -31.1500
            12  C1c C    41.0200  -36.8200
            13  C1c C    39.8300  -37.5200
            14  O1a O    42.2100  -37.5200
            15  C1c C    38.5700  -36.8200
            16  N1b N    38.5700  -35.3500
            17  C5a C    37.3800  -37.5200
            18  N1b N    37.3800  -38.9200
            19  O5a O    36.1900  -36.8200
            20  C1c C    36.1900  -39.6200
            21  C5a C    35.0000  -38.9200
            22  C1c C    36.1900  -41.0200
            23  C1b C    37.3800  -41.7200
            24  O1a O    35.0000  -41.7200
            25  C1b C    37.3800  -43.1200
            26  N1a N    38.5700  -43.8200
            27  N1y N    33.7400  -39.6200
            28  C1y C    32.5500  -38.9200
            29  O5a O    35.0000  -37.5200
            30  C5a C    32.5500  -37.5200
            31  O5a O    33.7400  -36.8200
            32  C1y C    31.5000  -39.9000
            33  C1x C    32.0600  -41.1600
            34  C1x C    33.4600  -41.0200
            35  N1b N    31.3600  -36.8200
            36  C5a C    37.3800  -34.6500
            37  C1y C    37.3800  -33.2500
            38  N1y N    36.1900  -32.5500
            39  C5a C    34.9300  -33.2500
            40  C1c C    33.7400  -32.5500
            41  O5a O    34.9300  -34.6500
            42  C1c C    33.7400  -31.1500
            43  C1a C    34.9300  -30.4500
            44  O1a O    32.5500  -30.4500
            45  C1x C    38.4300  -32.3400
            46  C1y C    37.8700  -31.0100
            47  C1x C    36.4700  -31.2200
            48  O5a O    36.1900  -35.3500
            49  O1a O    38.5700  -29.8200
            50  N1b N    32.5500  -33.2500
            51  C5a C    31.3600  -32.5500
            52  C1c C    30.1700  -33.2500
            53  O5a O    31.3600  -31.1500
            54  N1b N    28.9800  -32.5500
            55  C1b C    30.1700  -34.6500
            56  C1c C    29.1900  -35.6300
            57  C1c C    29.9600  -37.1700
            58  O1a O    27.7900  -35.8400
            59  N1b N    29.4700  -38.5000
            60  O1a O    30.1700  -39.5500
            61  O1a O    39.8300  -38.9200
            62  C5a C    27.7900  -33.2500
            63  O5a O    27.7900  -34.6500
            64  C1b C    26.6000  -32.5500
            65  C1b C    25.4100  -33.2500
            66  C1b C    24.2200  -32.5500
            67  C1b C    23.0300  -33.2500
            68  C1b C    21.8400  -32.5500
            69  C1b C    20.6500  -33.2500
            70  C1b C    19.4600  -32.5500
            71  C1b C    18.2700  -33.2500
            72  C1c C    17.0800  -32.5500
            73  C1b C    15.8200  -33.2500
            74  C1a C    17.0800  -31.1500
            75  C1c C    14.6300  -32.5500
            76  C1b C    13.4400  -33.2500
            77  C1a C    14.6300  -31.1500
            78  C1a C    12.2500  -32.5500
            79  C1b C    28.0700  -38.5000
            80  C1b C    27.4400  -39.7600
            81  N1a N    26.0400  -39.7600
            82  C6a C    15.5693  -40.6869
            83  O6a O    16.7547  -41.3714
            84  C1a C    14.3839  -41.3714
            85  O6a O    15.5693  -39.3181
BOND        86
            1     5   6 2
            2     6   7 1
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6     5  10 1
            7    10  11 1
            8     7  12 1
            9    12  13 1
            10   12  14 1 #Down
            11   13  15 1
            12   15  16 1 #Up
            13   15  17 1
            14   17  18 1
            15   17  19 2
            16   20  18 1 #Up
            17   20  21 1
            18   20  22 1
            19   22  23 1
            20   22  24 1 #Up
            21   23  25 1
            22   25  26 1
            23   21  27 1
            24   27  28 1
            25   21  29 2
            26   28  30 1 #Up
            27   30  31 2
            28   28  32 1
            29   32  33 1
            30   33  34 1
            31   27  34 1
            32   30  35 1
            33   16  36 1
            34   37  36 1 #Up
            35   37  38 1
            36   38  39 1
            37   39  40 1
            38   39  41 2
            39   40  42 1
            40   42  43 1
            41   42  44 1 #Down
            42   37  45 1
            43   45  46 1
            44   46  47 1
            45   38  47 1
            46   36  48 2
            47   46  49 1 #Down
            48   40  50 1 #Up
            49   50  51 1
            50   51  52 1
            51   51  53 2
            52   52  54 1 #Down
            53   52  55 1
            54   55  56 1
            55   35  57 1
            56   56  57 1
            57   56  58 1 #Down
            58   57  59 1 #Down
            59   32  60 1 #Down
            60   13  61 1 #Up
            61   54  62 1
            62   62  63 2
            63   62  64 1
            64   64  65 1
            65   65  66 1
            66   66  67 1
            67   67  68 1
            68   68  69 1
            69   69  70 1
            70   70  71 1
            71   71  72 1
            72   72  73 1
            73   72  74 1
            74   73  75 1
            75   75  76 1
            76   75  77 1
            77   76  78 1
            78   59  79 1
            79   79  80 1
            80   80  81 1
            81    1   2 1
            82    1   3 1
            83    1   4 2
            84   82  83 1
            85   82  84 1
            86   82  85 2
BRACKET     1    12.4600  -42.1400   12.4600  -38.3600
            1    17.9200  -38.3600   17.9200  -42.1400
            1  2
 ORIGINAL  1    1   2   3   4
 REPEAT    1   82  83  84  85

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