KEGG   DRUG: Tecovirimat monohydrate
Entry
D11557                      Drug                                   

Name
Tecovirimat monohydrate;
Tpoxx (TN)
Product
Formula
C19H15F3N2O3. H2O
Exact mass
394.114
Mol weight
394.3445
Structure
Simcomp
Remark
ATC code: J05AX24
Chemical structure group: DG03049
Product (DG03049): D11557<US>
Efficacy
Antiviral
  Disease
Smallpox [DS:H00372]
Metabolism
Enzyme: UGT1A1 [HSA:54658], UGT1A4 [HSA:54657]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AX Other antivirals
     J05AX24 Tecovirimat
      D11557  Tecovirimat monohydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11557
Other DBs
CAS: 1162664-19-8
PubChem: 384585533
LinkDB
KCF data

ATOM        28
            1   C1y C    22.4697  -16.8698
            2   C1y C    22.4697  -15.4698
            3   C5x C    21.1397  -17.2898
            4   N1y N    20.2997  -16.1698
            5   C5x C    21.1397  -15.0498
            6   N1b N    18.8997  -16.1698
            7   C5a C    18.1997  -17.3598
            8   C8y C    16.7998  -17.3598
            9   O5a O    18.8997  -18.5497
            10  O5x O    20.7197  -13.7198
            11  O5x O    20.7197  -18.6197
            12  C8x C    16.0998  -18.5497
            13  C8x C    14.6998  -18.5497
            14  C8y C    13.9298  -17.3598
            15  C8x C    14.6998  -16.1698
            16  C8x C    16.0998  -16.1698
            17  C1d C    12.5298  -17.3598
            18  X   F    11.1298  -17.3598
            19  C1y C    23.3097  -14.9798
            20  C1y C    24.0797  -16.2398
            21  C1y C    24.9196  -16.8698
            22  C1y C    24.9196  -15.4698
            23  C2x C    23.3097  -13.5798
            24  C2x C    24.0797  -14.1398
            25  C1x C    26.1096  -16.1698
            26  X   F    12.5298  -15.9598
            27  X   F    12.5298  -18.7597
            28  O0  O    15.9600  -13.5800
BOND        31
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     2   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     7   9 2
            10    5  10 2
            11    3  11 2
            12    8  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17    8  16 1
            18   14  17 1
            19   17  18 1
            20    2  19 1
            21    1  20 1
            22   20  21 1
            23   19  22 1
            24   22  21 1
            25   19  23 1
            26   20  24 1
            27   23  24 2
            28   21  25 1
            29   25  22 1
            30   17  26 1
            31   17  27 1

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