KEGG   DRUG: D02555Help
Entry
D02555                      Drug                                   

Name
Posaconazole (USAN/INN);
Noxafil (TN)
Product
Formula
C37H42F2N8O4
Exact mass
700.3297
Mol weight
700.7774
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal [alpha-demethylase fungal P450 cytochrome system inhibitor]
Remark
ATC code: 
Target
sterol 14alpha-demethylase ihibitor [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis  
 
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
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
    J02AC Triazole derivatives
     J02AC04 Posaconazole
      D02555  Posaconazole (USAN/INN)
USP drug classification [BR:br08302]
 Antifungals
  Posaconazole
   D02555  Posaconazole (USAN/INN)
Antiinfectives [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   sterol 14alpha-demethylase inhibitor
    Triazoles
     Posaconazole
      D02555  Posaconazole (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP3A
   Posaconazole
    D02555  Posaconazole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
171228-49-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        51
            1   C8x C    12.1804  -16.5648
            2   C8x C    13.5842  -16.5648
            3   C8y C    14.2861  -15.3716
            4   C8x C    13.5842  -14.1082
            5   C8x C    12.1804  -14.1082
            6   C8y C    11.4785  -15.3716
            7   N1y N    15.6900  -15.3716
            8   C1x C    16.3918  -16.5648
            9   C1x C    17.7956  -16.5648
            10  N1y N    18.4975  -15.3716
            11  C1x C    17.7956  -14.1082
            12  C1x C    16.3918  -14.1082
            13  C8y C    19.9014  -15.3716
            14  C8x C    20.6033  -16.5648
            15  C8x C    22.0070  -16.5648
            16  C8y C    22.7090  -15.3716
            17  C8x C    22.0070  -14.1783
            18  C8x C    20.6033  -14.1783
            19  O2a O    24.1128  -15.3716
            20  C1b C    24.8147  -16.5648
            21  C1y C    26.2185  -16.5648
            22  C1x C    27.0608  -17.6878
            23  C1z C    28.3945  -17.2667
            24  O2x O    28.3945  -15.8630
            25  C1x C    27.0608  -15.4418
            26  N4y N    10.0748  -15.3888
            27  C8y C     9.2274  -14.2523
            28  N4y N     7.8845  -14.7071
            29  N5x N     7.9021  -16.1247
            30  C8x C     9.2557  -16.5461
            31  C1c C     6.6606  -14.0204
            32  C1c C     5.4540  -14.7372
            33  O1a O     5.4715  -16.1548
            34  C1b C     6.6432  -12.6299
            35  C1a C     5.4099  -11.9383
            36  C1a C     4.2170  -14.0432
            37  O5x O     9.6469  -12.9046
            38  C8y C    29.3867  -18.2590
            39  C1b C    29.3867  -16.2744
            40  N5x N    30.0790  -12.9852
            41  C8x C    28.6752  -12.9852
            42  N5x N    28.2541  -14.3188
            43  N4y N    29.3771  -15.1610
            44  C8x C    30.5002  -14.3188
            45  C8y C    29.3867  -19.6624
            46  C8x C    30.6022  -20.3641
            47  C8y C    31.8175  -19.6624
            48  C8x C    31.8175  -18.2590
            49  C8x C    30.6022  -17.5573
            50  X   F    33.0290  -20.3618
            51  X   F    28.1626  -20.3694
BOND        57
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   21  20 1 #Down
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   21  25 1
            29    6  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 2
            34   26  30 1
            35   28  31 1
            36   31  32 1
            37   32  33 1 #Up
            38   31  34 1 #Down
            39   34  35 1
            40   32  36 1
            41   27  37 2
            42   23  38 1
            43   23  39 1 #Down
            44   40  41 1
            45   41  42 2
            46   42  43 1
            47   43  44 1
            48   40  44 2
            49   39  43 1
            50   38  45 2
            51   45  46 1
            52   46  47 2
            53   47  48 1
            54   48  49 2
            55   38  49 1
            56   47  50 1
            57   45  51 1

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