KEGG   DRUG: Tecovirimat hydrate
Entry
D11557                      Drug                                   
Name
Tecovirimat hydrate (JAN);
Tecovirimat monohydrate;
Tpoxx (TN);
Tepoxx (TN)
Product
TPOXX (SIGA Technologies)
Formula
C19H15F3N2O3. H2O
Exact mass
394.1140
Mol weight
394.34
Structure
Simcomp
Class
Metabolizing enzyme inhibitor
 DG01641  CYP2C8 inhibitor
 DG01933  CYP2C19 inhibitor
Metabolizing enzyme inducer
 DG02891  CYP2B6 inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Remark
Therapeutic category: 6250
ATC code: J05AX24
Chemical structure group: DG03049
Product (DG03049): D11557<JP/US>
Efficacy
Antiviral
  Disease
Smallpox [DS:H00372]
Target
orthopoxvirus VP37 protein
Interaction
CYP induction: CYP3A4 [HSA:1576], CYP2B6 [HSA:1555]
CYP inhibition: CYP2C8 [HSA:1558], CYP2C19 [HSA:1557]
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 hydrate (JAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D11557  Tecovirimat hydrate (JAN)
Drug groups [BR:br08330]
 Metabolizing enzyme inhibitor
  DG01641  CYP2C8 inhibitor
   DG03049  Tecovirimat
    D11557  Tecovirimat hydrate
  DG01933  CYP2C19 inhibitor
   DG03049  Tecovirimat
    D11557  Tecovirimat hydrate
 Metabolizing enzyme inducer
  DG02891  CYP2B6 inducer
   DG03049  Tecovirimat
    D11557  Tecovirimat hydrate
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    DG03049  Tecovirimat
     D11557  Tecovirimat hydrate
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   Herpesvirus glycoprotein
    D11557  Tecovirimat hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11557
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11557
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11557
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11557
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11557
Drug groups [BR:br08330]
 Metabolizing enzyme inhibitor
  DG01641  CYP2C8 inhibitor
   DG03049  Tecovirimat
  DG01933  CYP2C19 inhibitor
   DG03049  Tecovirimat
 Metabolizing enzyme inducer
  DG02891  CYP2B6 inducer
   DG03049  Tecovirimat
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    DG03049  Tecovirimat
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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