KEGG   DRUG: Tenofovir alafenamide
Entry
D10428                      Drug                                   
Name
Tenofovir alafenamide (USAN/INN)
  Abbr
TAF
Formula
C21H29N6O5P
Exact mass
476.1937
Mol weight
476.4659
Structure
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
 DG03107  Anti-HIV agent
  DG01656  HIV reverse transcriptase inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Remark
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
Comment
Active form of prodrug: Tenofovir [CPD:C17407]
Target
HBV reverse transcriptase [KO:K21037]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko05161  Hepatitis B
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
      D10428  Tenofovir alafenamide (USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   DG01223  Tenofovir
    D10428  Tenofovir alafenamide
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    DG01223  Tenofovir
     D10428  Tenofovir alafenamide
 Transporter substrate
  DG01665  ABCB1 substrate
   D10428  Tenofovir alafenamide
  DG01913  ABCG2 substrate
   D10428  Tenofovir alafenamide
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D10428  Tenofovir alafenamide (USAN/INN)
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D10428  Tenofovir alafenamide (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10428
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D10428
Prodrugs [br08324.html]
 D10428
Drug groups [BR:br08330]
 Antiviral
  DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
   DG01223  Tenofovir
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    DG01223  Tenofovir
Other DBs
CAS: 379270-37-8
PubChem: 172232521
ChEBI: 90926
KCF data

ATOM        33
            1   N5x N    22.5400  -22.2600
            2   C8x C    22.5400  -23.7300
            3   N5x N    21.3500  -24.4300
            4   C8y C    20.0900  -23.7300
            5   C8y C    20.0900  -22.2600
            6   C8y C    21.3500  -21.5600
            7   N4y N    18.7600  -24.1500
            8   C8x C    17.9900  -23.0300
            9   N5x N    18.7600  -21.8400
            10  N1a N    21.3500  -20.1600
            11  C1b C    18.7600  -25.5500
            12  C1c C    17.5700  -26.2500
            13  O2a O    16.3100  -25.5500
            14  C1b C    15.2600  -26.2500
            15  P1a P    14.0000  -25.5500
            16  C1a C    17.5700  -27.5800
            17  O2b O    12.7400  -24.8500
            18  O3b O    14.7000  -24.2900
            19  N1b N    12.8800  -26.7400
            20  C8y C    11.3400  -24.8500
            21  C8x C    10.6400  -23.6376
            22  C8x C     9.2400  -23.6376
            23  C8x C     8.5400  -24.8500
            24  C8x C     9.2400  -26.0624
            25  C8x C    10.6400  -26.0624
            26  C1c C    12.8800  -28.1400
            27  C7a C    11.6676  -28.8400
            28  C1a C    14.0924  -28.8400
            29  O7a O    10.4721  -28.1496
            30  O6a O    11.6675  -30.2398
            31  C1c C     9.2847  -28.8351
            32  C1a C     8.0935  -28.1471
            33  C1a C     9.2845  -30.2398
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   12  16 1 #Up
            18   15  17 1 #Up
            19   15  18 2
            20   15  19 1 #Down
            21   17  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1
            28   19  26 1
            29   26  27 1
            30   26  28 1 #Up
            31   27  29 1
            32   27  30 2
            33   29  31 1
            34   31  32 1
            35   31  33 1

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