KEGG   DRUG: D07626Help
Entry
D07626                      Drug                                   

Name
Caspofungin (INN);
Cancidas (TN)
Formula
C52H88N10O15
Exact mass
1092.6431
Mol weight
1093.3131
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal
Remark
ATC code: 
Drug group: 
Comment
Candin antifungal
Target
beta-1,3-glucan synthesis inhibitor [KO:K00706]
  Pathway
ko00500  Starch and sucrose metabolism  
 
Interaction
Drug interaction
Structure map
Antifungal agents
Other map
Bile secretion
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
      D07626  Caspofungin (INN)
USP drug classification [BR:br08302]
 Antifungals
  Caspofungin
   D07626  Caspofungin (INN)
Antiinfectives [BR:br08307]
 Antifungals
  Cell wall biosyntehsis inhibitor
   beta-1,3-glucan synthase inhibitor
    Echinocandins
     Caspofungin
      D07626  Caspofungin (INN)
BRITE hierarchy
Other DBs
CAS: 
162808-62-0
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        77
            1   C8x C    44.6600  -17.7100
            2   C8x C    44.6600  -19.1100
            3   C8y C    45.8500  -19.8100
            4   C8x C    47.1100  -19.1100
            5   C8x C    47.1100  -17.7100
            6   C8y C    45.8500  -17.0100
            7   O1a O    45.8500  -15.6100
            8   C1c C    45.8500  -21.2100
            9   C1c C    44.6600  -21.9100
            10  O1a O    47.0400  -21.9100
            11  C1c C    43.4000  -21.2100
            12  N1b N    43.4000  -19.8100
            13  C5a C    42.2100  -21.9100
            14  N1b N    42.2100  -23.3100
            15  O5a O    41.0200  -21.2100
            16  C1c C    41.0200  -24.0100
            17  C5a C    39.8300  -23.3100
            18  C1c C    41.0200  -25.4100
            19  C1b C    42.2100  -26.1100
            20  O1a O    39.8300  -26.1100
            21  C1b C    42.2100  -27.5100
            22  N1a N    43.4000  -28.2100
            23  N1y N    38.5700  -24.0100
            24  C1y C    37.3800  -23.3100
            25  O5a O    39.8300  -21.9100
            26  C5a C    37.3800  -21.9100
            27  O5a O    38.5700  -21.2100
            28  C1y C    36.3300  -24.2900
            29  C1x C    36.8900  -25.5500
            30  C1x C    38.2900  -25.4100
            31  N1b N    36.1900  -21.2100
            32  C5a C    42.2100  -19.1100
            33  C1y C    42.2100  -17.7100
            34  N1y N    41.0200  -17.0100
            35  C5a C    39.7600  -17.7100
            36  C1c C    38.5700  -17.0100
            37  O5a O    39.7600  -19.1100
            38  C1c C    38.5700  -15.6100
            39  C1a C    39.7600  -14.9100
            40  O1a O    37.3800  -14.9100
            41  C1x C    43.2600  -16.8000
            42  C1y C    42.7000  -15.4700
            43  C1x C    41.3000  -15.6800
            44  O5a O    41.0200  -19.8100
            45  O1a O    43.4000  -14.2800
            46  N1b N    37.3800  -17.7100
            47  C5a C    36.1900  -17.0100
            48  C1c C    35.0000  -17.7100
            49  O5a O    36.1900  -15.6100
            50  N1b N    33.8100  -17.0100
            51  C1b C    35.0000  -19.1100
            52  C1c C    34.0200  -20.0900
            53  C1c C    34.7900  -21.5600
            54  O1a O    32.6200  -20.3000
            55  N1b N    34.3000  -22.8900
            56  O1a O    35.0000  -23.9400
            57  O1a O    44.6600  -23.3100
            58  C5a C    32.6200  -17.7100
            59  O5a O    32.6200  -19.1100
            60  C1b C    31.4300  -17.0100
            61  C1b C    30.2400  -17.7100
            62  C1b C    29.0500  -17.0100
            63  C1b C    27.8600  -17.7100
            64  C1b C    26.6700  -17.0100
            65  C1b C    25.4800  -17.7100
            66  C1b C    24.2900  -17.0100
            67  C1b C    23.1000  -17.7100
            68  C1c C    21.9100  -17.0100
            69  C1b C    20.7200  -17.7100
            70  C1a C    21.9100  -15.6100
            71  C1c C    19.5300  -17.0100
            72  C1b C    18.3400  -17.7100
            73  C1a C    19.5300  -15.6100
            74  C1a C    17.1500  -17.0100
            75  C1b C    32.9000  -22.8900
            76  C1b C    32.2700  -24.1500
            77  N1a N    30.8700  -24.1500
BOND        80
            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   19  21 1
            22   21  22 1
            23   17  23 1
            24   23  24 1
            25   17  25 2
            26   24  26 1 #Up
            27   26  27 2
            28   24  28 1
            29   28  29 1
            30   29  30 1
            31   23  30 1
            32   26  31 1
            33   12  32 1
            34   33  32 1 #Up
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   35  37 2
            39   36  38 1
            40   38  39 1
            41   38  40 1 #Down
            42   33  41 1
            43   41  42 1
            44   42  43 1
            45   34  43 1
            46   32  44 2
            47   42  45 1 #Down
            48   36  46 1 #Up
            49   46  47 1
            50   47  48 1
            51   47  49 2
            52   48  50 1 #Down
            53   48  51 1
            54   51  52 1
            55   31  53 1
            56   52  53 1
            57   52  54 1 #Down
            58   53  55 1 #Down
            59   28  56 1 #Down
            60    9  57 1 #Up
            61   50  58 1
            62   58  59 2
            63   58  60 1
            64   60  61 1
            65   61  62 1
            66   62  63 1
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   68  70 1
            74   69  71 1
            75   71  72 1
            76   71  73 1
            77   72  74 1
            78   55  75 1
            79   75  76 1
            80   76  77 1

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