KEGG   DRUG: Tecovirimat
Entry
D09390                      Drug                                   
Name
Tecovirimat (USAN/INN)
Formula
C19H15F3N2O3
Exact mass
376.1035
Mol weight
376.33
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
  DG03182  UGT1A4 substrate
Remark
ATC code: J05AX24
Chemical structure group: DG03049
Product (DG03049): D11557<JP/US>
Efficacy
Antiviral, Maturation inhibitor
Comment
Treatment of smallpox
Target
orthopoxvirus VP37 protein
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
      D09390  Tecovirimat (USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03049  Tecovirimat
     D09390  Tecovirimat
   DG03182  UGT1A4 substrate
    DG03049  Tecovirimat
     D09390  Tecovirimat
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   Herpesvirus glycoprotein
    D09390  Tecovirimat (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09390
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03049  Tecovirimat
   DG03182  UGT1A4 substrate
    DG03049  Tecovirimat
Other DBs
CAS: 869572-92-9
PubChem: 96026070
LigandBox: D09390
LinkDB
KCF data

ATOM        27
            1   C1y C    27.4400  -23.5200
            2   C1y C    27.4400  -22.1200
            3   C5x C    26.1100  -23.9400
            4   N1y N    25.2700  -22.8200
            5   C5x C    26.1100  -21.7000
            6   N1b N    23.8700  -22.8200
            7   C5a C    23.1700  -24.0100
            8   C8y C    21.7700  -24.0100
            9   O5a O    23.8700  -25.2000
            10  O5x O    25.6900  -20.3700
            11  O5x O    25.6900  -25.2700
            12  C8x C    21.0700  -25.2000
            13  C8x C    19.6700  -25.2000
            14  C8y C    18.9700  -24.0100
            15  C8x C    19.6700  -22.8200
            16  C8x C    21.0700  -22.8200
            17  C1d C    17.5700  -24.0100
            18  X   F    16.1700  -24.0100
            19  C1y C    28.2800  -21.6300
            20  C1y C    29.0500  -22.8900
            21  C1y C    29.8900  -23.5200
            22  C1y C    29.8900  -22.1200
            23  C2x C    28.2800  -20.2300
            24  C2x C    29.0500  -20.7900
            25  C1x C    31.0800  -22.8200
            26  X   F    17.5700  -22.6100
            27  X   F    17.5700  -25.4100
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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