KEGG   DRUG: Tenofovir alafenamide fumarate
Entry
D10605                      Drug                                   

Name
Tenofovir alafenamide fumarate (USAN/JAN);
Vemlidy (TN)
  Abbr
TAF
Product
Formula
(C21H29N6O5P)2. C4H4O4
Exact mass
1068.3984
Mol weight
1069.004
Structure
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
 DG01656  HIV reverse transcriptase inhibitor
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
 DG01913  ABCG2 (BCRP) substrate
Remark
Therapeutic category: 6250
ATC code: J05AF13
Chemical structure group: DG01223
Product (DG01223): D01982<JP/US> D10605<JP/US>
Product (mixture): D10755<JP/US> D10835<JP/US> D10836<JP/US> D11039<JP/US> D11382<JP/US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
Chronic hepatitis B virus infection [DS:H00412]
Comment
Active form of prodrug: Tenofovir [CPD:C17407]
Target
RNA-directed DNA polymerase
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
     J05AF13 Tenofovir alafenamide
      D10605  Tenofovir alafenamide fumarate (USAN/JAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis B (HBV) Agents
   Tenofovir
    D10605  Tenofovir alafenamide fumarate (USAN/JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10605  Tenofovir alafenamide fumarate (USAN/JAN)
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10605
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D10605
Other DBs
CAS: 1392275-56-7
PubChem: 254741567
ChEBI: 90923
ChEMBL: CHEMBL2364637
LinkDB
KCF data

ATOM        74
            1   N5x N    28.2100  -13.7900
            2   C8x C    28.2100  -15.2600
            3   N5x N    27.0200  -15.9600
            4   C8y C    25.8300  -15.2600
            5   C8y C    25.8300  -13.7900
            6   C8y C    27.0200  -13.0900
            7   N4y N    24.5000  -15.6800
            8   C8x C    23.7300  -14.5600
            9   N5x N    24.5000  -13.3700
            10  N1a N    27.0200  -11.7600
            11  C1b C    24.5000  -17.0800
            12  C1c C    23.3100  -17.7800
            13  O2a O    22.0500  -17.0800
            14  C1b C    21.0000  -17.7800
            15  P1a P    19.7400  -17.0800
            16  C1a C    23.3100  -19.1100
            17  O2b O    18.4800  -16.3800
            18  O3b O    20.4400  -15.8200
            19  N1b N    18.6200  -18.2700
            20  C8y C    17.0800  -16.3800
            21  C8x C    16.3800  -15.1900
            22  C8x C    14.9800  -15.1900
            23  C8x C    14.2800  -16.3800
            24  C8x C    14.9800  -17.5700
            25  C8x C    16.3800  -17.5700
            26  C1c C    18.6200  -19.6700
            27  C7a C    17.4300  -20.3700
            28  C1a C    19.8100  -20.3700
            29  O7a O    16.2400  -19.6700
            30  O6a O    17.4300  -21.7700
            31  C1c C    15.0500  -20.3700
            32  C1a C    13.8600  -19.6700
            33  C1a C    15.0500  -21.7700
            34  C6a C    34.5800  -17.5000
            35  C2b C    35.7924  -18.2000
            36  O6a O    33.3676  -18.2000
            37  O6a O    34.5800  -16.1000
            38  C2b C    36.9879  -17.5096
            39  C6a C    38.1753  -18.1951
            40  O6a O    39.3665  -17.5071
            41  O6a O    38.1755  -19.5998
            42  N5x N    28.2100  -13.7900
            43  C8x C    28.2100  -15.2600
            44  N5x N    27.0200  -15.9600
            45  C8y C    25.8300  -15.2600
            46  C8y C    25.8300  -13.7900
            47  C8y C    27.0200  -13.0900
            48  N1a N    27.0200  -11.7600
            49  N5x N    24.5000  -13.3700
            50  C8x C    23.7300  -14.5600
            51  N4y N    24.5000  -15.6800
            52  C1b C    24.5000  -17.0800
            53  C1c C    23.3100  -17.7800
            54  O2a O    22.0500  -17.0800
            55  C1b C    21.0000  -17.7800
            56  P1a P    19.7400  -17.0800
            57  O2b O    18.4800  -16.3800
            58  C8y C    17.0800  -16.3800
            59  C8x C    16.3800  -15.1900
            60  C8x C    14.9800  -15.1900
            61  C8x C    14.2800  -16.3800
            62  C8x C    14.9800  -17.5700
            63  C8x C    16.3800  -17.5700
            64  O3b O    20.4400  -15.8200
            65  N1b N    18.6200  -18.2700
            66  C1c C    18.6200  -19.6700
            67  C7a C    17.4300  -20.3700
            68  O7a O    16.2400  -19.6700
            69  C1c C    15.0500  -20.3700
            70  C1a C    13.8600  -19.6700
            71  C1a C    15.0500  -21.7700
            72  O6a O    17.4300  -21.7700
            73  C1a C    19.8100  -20.3700
            74  C1a C    23.3100  -19.1100
BOND        77
            1    34  35 1
            2    34  36 1
            3    34  37 2
            4    35  38 2
            5    38  39 1
            6    39  40 1
            7    39  41 2
            8     1   2 2
            9     2   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13    1   6 1
            14    4   7 1
            15    7   8 1
            16    8   9 2
            17    5   9 1
            18    6  10 1
            19    7  11 1
            20   11  12 1
            21   12  13 1
            22   13  14 1
            23   14  15 1
            24   12  16 1 #Up
            25   15  17 1 #Up
            26   15  18 2
            27   15  19 1 #Down
            28   17  20 1
            29   20  21 2
            30   21  22 1
            31   22  23 2
            32   23  24 1
            33   24  25 2
            34   20  25 1
            35   19  26 1
            36   26  27 1
            37   26  28 1 #Up
            38   27  29 1
            39   27  30 2
            40   29  31 1
            41   31  32 1
            42   31  33 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   42  47 1
            49   45  51 1
            50   51  50 1
            51   50  49 2
            52   46  49 1
            53   47  48 1
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   53  74 1 #Up
            60   56  57 1 #Up
            61   56  64 2
            62   56  65 1 #Down
            63   57  58 1
            64   58  59 2
            65   59  60 1
            66   60  61 2
            67   61  62 1
            68   62  63 2
            69   58  63 1
            70   65  66 1
            71   66  67 1
            72   66  73 1 #Up
            73   67  68 1
            74   67  72 2
            75   68  69 1
            76   69  70 1
            77   69  71 1
BRACKET     1    11.2000  -23.2400   11.2000   -9.9400
            1    29.0500   -9.9400   29.0500  -23.2400
            1  2
 ORIGINAL  1    1   2   3   4   5   6  10   9   8   7  11  12  13  14  15  17
            1   20  21  22  23  24  25  18  19  26  27  29  31  32  33  30  28
            1   16
 REPEAT    1   42  43  44  45  46  47  48  49  50  51  52  53  54  55  56  57
            1   58  59  60  61  62  63  64  65  66  67  68  69  70  71  72  73
            1   74

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