KEGG   DRUG: Fostemsavir tromethamine
Entry
D10708                      Drug                                   
Name
Fostemsavir tromethamine (USAN);
Fostemsavir trometamol;
Rukobia (TN)
  Abbr
FTR
Product
RUKOBIA (ViiV Healthcare Company)
Formula
C25H26N7O8P. C4H11NO3
Exact mass
704.2319
Mol weight
704.6248
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, gp120-directed attachment inhibitor
  Disease
HIV-1 infection [DS:H01563]
Comment
Active form of prodrug: Temsavir [DR:D10734]
Treatment of HIV
Target
HIV-1 gp120 [KO:K24266]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
ko03260  Virion - Human immunodeficiency virus
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
      D10708  Fostemsavir tromethamine (USAN) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Other
   Fostemsavir
    D10708  Fostemsavir tromethamine (USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG01860  Temsavir
    D10708  Fostemsavir tromethamine
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01860  Temsavir
    D10708  Fostemsavir tromethamine
  DG01913  ABCG2 substrate
   DG01860  Temsavir
    D10708  Fostemsavir tromethamine
 Transporter inhibitor
  DG02862  ABCG2 inhibitor
   DG01860  Temsavir
    D10708  Fostemsavir tromethamine
  DG02865  SLCO1B1 inhibitor
   DG01860  Temsavir
    D10708  Fostemsavir tromethamine
  DG02907  SLCO1B3 inhibitor
   DG01860  Temsavir
    D10708  Fostemsavir tromethamine
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   HIV gp41/gp120
    D10708  Fostemsavir tromethamine (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10708
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10708
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10708
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10708
 Drug transporters
  D10708
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: 864953-39-9
PubChem: 254741669
LinkDB
KCF data

ATOM        49
            1   N5x N    16.9400  -18.2700
            2   C8x C    18.1300  -18.9700
            3   C8y C    19.3900  -18.2700
            4   C8y C    19.3900  -16.8700
            5   C8y C    18.1300  -16.1700
            6   C8y C    16.9400  -16.8700
            7   C8y C    20.3700  -15.8900
            8   C8x C    19.8100  -14.6300
            9   N4y N    18.4100  -14.7700
            10  N4y N    15.7500  -16.1700
            11  C8x C    15.5400  -14.7700
            12  N5x N    14.2100  -14.4900
            13  C8y C    13.5100  -15.7500
            14  N5x N    14.4900  -16.7300
            15  C1a C    12.1100  -15.7500
            16  C1b C    17.4300  -13.7900
            17  O2b O    17.7800  -12.4600
            18  P1b P    16.8000  -11.4800
            19  O1c O    17.7800  -10.5000
            20  O1c O    15.8200  -12.4600
            21  O1c O    15.8200  -10.5000
            22  O2a O    20.5800  -18.9700
            23  C1a C    20.5800  -20.3700
            24  C5a C    21.7700  -16.2400
            25  O5a O    22.7500  -15.1900
            26  C5a C    22.4700  -17.5000
            27  O5a O    21.4900  -18.4800
            28  N1y N    23.8000  -17.8500
            29  C1x C    24.1500  -19.1800
            30  C1x C    25.5500  -19.5300
            31  N1y N    26.5300  -18.5500
            32  C1x C    26.1800  -17.2200
            33  C1x C    24.7800  -16.8000
            34  C8x C    27.2300  -21.2100
            35  C8y C    28.2800  -20.2300
            36  C5a C    27.8600  -18.9000
            37  C8x C    27.6500  -22.6100
            38  C8x C    28.9800  -22.9600
            39  C8x C    29.9600  -21.9100
            40  C8x C    29.6100  -20.5800
            41  O5a O    28.8400  -17.9200
            42  O1a O    30.1700  -15.0500
            43  C1b C    31.3600  -14.4200
            44  C1d C    32.6200  -15.0500
            45  C1b C    33.8100  -14.4200
            46  O1a O    35.0700  -15.0500
            47  N1a N    32.6200  -13.6500
            48  C1b C    32.6200  -16.4500
            49  O1a O    33.8800  -17.2200
BOND        52
            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
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   44  47 1
            51   44  48 1
            52   48  49 1

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