KEGG   DRUG: Fostemsavir tromethamine
Entry
D10708                      Drug                                   

Name
Fostemsavir tromethamine (USAN);
Rukobia (TN)
Product
Formula
C25H26N7O8P. C4H11NO3
Exact mass
704.2319
Mol weight
704.6248
Structure
Simcomp
Remark
Chemical structure group: DG01860 DG03096
Product (DG01860): D10708<US>
Product (DG03096): 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]
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
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10708
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10708
Prodrugs [br08324.html]
 DG01860
Other DBs
CAS: 864953-39-9
PubChem: 254741669
ChEMBL: CHEMBL3301598
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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