KEGG   DRUG: Isavuconazonium sulfateHelp
Entry
D10643                      Drug                                   

Name
Isavuconazonium sulfate (USAN);
Cresemba (TN)
Product
Formula
C35H35F2N8O5S. HSO4
Exact mass
814.2015
Mol weight
814.8353
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01840
Product (DG01840): D10643<US>
Efficacy
Antifungal
  Disease
Invasive aspergillosis [DS:H01328]
Invasive mucormycosis [DS:H02033]
Comment
Triazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
Brite
USP drug classification [BR:br08302]
 Antifungals
  Isavuconazonium
   D10643  Isavuconazonium sulfate (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10643
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10643
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10643
BRITE hierarchy
Other DBs
CAS: 946075-13-4
PubChem: 254741604
ChEMBL: CHEMBL3137333
LinkDB All DBs
KCF data Show

ATOM        56
            1   S4a S    28.2812  -20.1706
            2   O1d O    28.2812  -18.7697
            3   O1d O    28.2812  -21.5715
            4   O1d O    29.6821  -20.1706
            5   O1d O    26.8803  -20.1706 #-
            6   C8y C    15.8200  -18.6200
            7   C1c C    17.0100  -17.9200
            8   C1d C    18.2700  -18.6200
            9   C1a C    17.0100  -16.5200
            10  S2x S    15.4000  -19.9500
            11  C8x C    14.0000  -19.9500
            12  C8y C    13.5800  -18.6200
            13  N5x N    14.7000  -17.7800
            14  C8x C     9.9400  -17.9200
            15  C8y C     9.9400  -16.5200
            16  C8x C    11.1300  -15.8200
            17  C8x C    12.3900  -16.5200
            18  C8y C    12.3900  -17.9200
            19  C8x C    11.1300  -18.6200
            20  C3b C     8.7500  -15.8200
            21  N3a N     7.5600  -15.1200
            22  C8y C    18.2700  -20.0200
            23  C1b C    19.4600  -17.9200
            24  N4y N    19.4600  -16.5200
            25  N5x N    18.3400  -15.7500
            26  C8x C    18.7600  -14.4200
            27  N5y N    20.1600  -14.4200 #+
            28  C8x C    20.5800  -15.6800
            29  C8y C    19.5300  -20.7200
            30  C8x C    19.5300  -22.1200
            31  C8x C    18.3400  -22.8200
            32  C8y C    17.0800  -22.1200
            33  C8x C    17.0800  -20.7200
            34  X   F    20.6500  -20.0900
            35  X   F    15.7500  -22.8900
            36  O1a O    17.0800  -19.3200
            37  C8x C    27.5800  -10.0100
            38  C8x C    27.0200   -8.7500
            39  C8x C    25.6200   -8.6800
            40  N5x N    24.7800   -9.8700
            41  C8y C    25.4100  -11.2000
            42  C8y C    26.8800  -11.2000
            43  C1b C    27.5100  -12.4600
            44  O7a O    28.8400  -12.4600
            45  C7a C    29.5400  -13.7900
            46  C1b C    30.9400  -13.7900
            47  N1b N    31.5700  -15.1200
            48  C1a C    32.9700  -15.1200
            49  O6a O    28.8400  -14.9100
            50  N1c N    24.7100  -12.2500
            51  C7a C    23.3100  -12.2500
            52  O6a O    22.6800  -10.9900
            53  C1a C    25.3400  -13.5800
            54  O7a O    22.6100  -13.3700
            55  C1c C    21.1400  -13.3700
            56  C1a C    20.5100  -12.1800
BOND        59
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     7   9 1 #Down
            8    10  11 1
            9    11  12 2
            10   12  13 1
            11   13   6 2
            12   10   6 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   18  12 1
            20   15  20 1
            21   20  21 3
            22    8  22 1
            23    8  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   24  28 1
            30   22  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   22  33 1
            36   29  34 1
            37   32  35 1
            38    8  36 1 #Up
            39   37  38 1
            40   38  39 2
            41   39  40 1
            42   40  41 2
            43   41  42 1
            44   37  42 2
            45   42  43 1
            46   43  44 1
            47   44  45 1
            48   45  46 1
            49   46  47 1
            50   47  48 1
            51   45  49 2
            52   41  50 1
            53   50  51 1
            54   51  52 2
            55   50  53 1
            56   51  54 1
            57   54  55 1
            58   55  56 1
            59   27  55 1

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