KEGG   DRUG: Fostemsavir
Entry
D10707                      Drug                                   
Name
Fostemsavir (USAN)
  Abbr
FTR
Formula
C25H26N7O8P
Exact mass
583.158
Mol weight
583.4898
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Transporter inhibitor
 DG02862  ABCG2 inhibitor
 DG02865  SLCO1B1 inhibitor
 DG02907  SLCO1B3 inhibitor
Remark
ATC code: J05AX29
Chemical structure group: DG01860
Product (DG01860): D10708<US>
Efficacy
Antiviral
Comment
Active form of prodrug: Temsavir [DR:D10734]
Treatment of HIV
Target
HIV-1 gp120 [KO:K24266]
  Pathway
ko04061  Viral protein interaction with cytokine and cytokine receptor
ko05170  Human immunodeficiency virus 1 infection
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Transporter inhibition: ABCG2 [HSA:9429], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
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
     J05AX29 Fostemsavir
      D10707  Fostemsavir (USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG01860  Temsavir
    D10707  Fostemsavir
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01860  Temsavir
    D10707  Fostemsavir
  DG01913  ABCG2 substrate
   DG01860  Temsavir
    D10707  Fostemsavir
 Transporter inhibitor
  DG02862  ABCG2 inhibitor
   DG01860  Temsavir
    D10707  Fostemsavir
  DG02865  SLCO1B1 inhibitor
   DG01860  Temsavir
    D10707  Fostemsavir
  DG02907  SLCO1B3 inhibitor
   DG01860  Temsavir
    D10707  Fostemsavir
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   HIV gp41/gp120
    D10707  Fostemsavir (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10707
 Drug transporters
  D10707
Prodrugs [br08324.html]
 D10707
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG01860  Temsavir
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01860  Temsavir
  DG01913  ABCG2 substrate
   DG01860  Temsavir
 Transporter inhibitor
  DG02862  ABCG2 inhibitor
   DG01860  Temsavir
  DG02865  SLCO1B1 inhibitor
   DG01860  Temsavir
  DG02907  SLCO1B3 inhibitor
   DG01860  Temsavir
Prodrugs [br08324.html]
 DG01860
Other DBs
CAS: 864953-29-7
PubChem: 254741668
LinkDB
KCF data

ATOM        41
            1   N5x N     6.9981  -17.4168
            2   C8x C     8.2144  -18.1101
            3   C8y C     9.4229  -17.4033
            4   C8y C     9.4151  -16.0034
            5   C8y C     8.1988  -15.3101
            6   C8y C     6.9903  -16.0169
            7   C8y C    10.4503  -15.0608
            8   C8x C     9.8737  -13.7850
            9   N4y N     8.4822  -13.9391
            10  N4y N     5.7739  -15.3236
            11  C8x C     5.6217  -13.9502
            12  N5x N     4.2685  -13.6707
            13  C8y C     3.5844  -14.8712
            14  N5x N     4.5148  -15.8928
            15  C1a C     2.1844  -14.8790
            16  C1b C     7.4868  -12.9547
            17  O2b O     7.8416  -11.6004
            18  P1b P     6.8461  -10.6160
            19  O1c O     7.8306   -9.6205
            20  O1c O     5.8617  -11.6114
            21  O1c O     5.8507   -9.6315
            22  O2a O    10.6392  -18.0966
            23  C1a C    10.6470  -19.4965
            24  C5a C    11.8046  -15.4156
            25  O5a O    12.8236  -14.3593
            26  C5a C    12.5113  -16.6241
            27  O5a O    11.5269  -17.6196
            28  N1y N    13.8656  -16.9789
            29  C1x C    14.2338  -18.3233
            30  C1x C    15.5881  -18.6781
            31  N1y N    16.5726  -17.6827
            32  C1x C    16.2043  -16.3383
            33  C1x C    14.8500  -15.9835
            34  C8x C    17.3122  -20.3832
            35  C8y C    18.2967  -19.3878
            36  C5a C    17.9268  -18.0376
            37  C8x C    17.6821  -21.7335
            38  C8x C    19.0364  -22.0884
            39  C8x C    20.0208  -21.0929
            40  C8x C    19.6510  -19.7427
            41  O5a O    18.9113  -17.0421
BOND        45
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   13  15 1
            18    9  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1
            23   18  21 2
            24    3  22 1
            25   22  23 1
            26    7  24 1
            27   24  25 2
            28   24  26 1
            29   26  27 2
            30   26  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   28  33 1
            37   34  35 2
            38   35  36 1
            39   31  36 1
            40   34  37 1
            41   37  38 2
            42   38  39 1
            43   39  40 2
            44   35  40 1
            45   36  41 2

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