KEGG   DRUG: Tenofovir disoproxil phosphate
Entry
D10834                      Drug                                   

Name
Tenofovir disoproxil phosphate
Formula
C19H30N5O10P. H3PO4
Exact mass
617.1499
Mol weight
617.4379
Structure
Simcomp
Class
Antiviral
 DG01890  Nucleoside reverse transcriptase inhibitor (NRTI)
 DG01656  HIV reverse transcriptase inhibitor
Remark
ATC code: J05AF07
Chemical structure group: DG01223
Product (DG01223): D01982<JP/US> D10605<JP/US>
Product (mixture): D02297<JP/US> D11395<US> D11396<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
Comment
Active form of prodrug: Tenofovir [CPD:C17407]
Target
HBV reverse transcriptase [KO:K21037]
HIV-1 reverse transcriptase [KO:K24802]
  Pathway
ko05161  Hepatitis B
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
     J05AF07 Tenofovir disoproxil
      D10834  Tenofovir disoproxil phosphate
Antiinfectives [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HBV reverse transcriptase inhibitor
    D10834  Tenofovir disoproxil phosphate
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10834
Other DBs
CAS: 1453166-76-1
PubChem: 319902634
KCF data

ATOM        40
            1   C8y C    20.6991  -15.3146
            2   C8y C    20.6991  -13.8460
            3   N4y N    19.3705  -15.7341
            4   N5x N    21.9579  -15.9439
            5   N5x N    19.3705  -13.4265
            6   C8y C    21.9579  -13.2167
            7   C8x C    18.5313  -14.6153
            8   C8x C    23.1467  -15.3146
            9   N5x N    23.1467  -13.8460
            10  N1a N    21.9579  -11.8880
            11  C1b C    19.3705  -17.1327
            12  C1c C    18.1817  -17.8320
            13  O2a O    16.9929  -17.1327
            14  C1b C    15.7341  -17.8320
            15  P1b P    14.5453  -17.1327
            16  O2b O    13.3565  -16.4334
            17  O2b O    13.8460  -18.3215
            18  O1c O    15.2446  -15.9439
            19  C1b C    13.3565  -15.0348
            20  C1b C    13.8460  -19.7201
            21  O7a O    12.0978  -14.3355
            22  C7a C    10.9090  -15.0348
            23  O7a O     9.7202  -14.3355
            24  C1c C     8.4615  -15.0348
            25  C1a C     7.2727  -14.3355
            26  O7a O    12.5873  -20.4893
            27  C7a C    11.3985  -19.7900
            28  O7a O    10.2097  -20.4893
            29  C1c C     8.9510  -19.7900
            30  C1a C     7.7622  -20.4893
            31  O6a O    10.9090  -16.4334
            32  C1a C     8.4615  -16.4334
            33  O6a O    11.3985  -18.3915
            34  C1a C     8.9510  -18.3915
            35  C1a C    18.1817  -19.2306
            36  P1b P    25.7600  -19.1100
            37  O1c O    25.7600  -17.7100
            38  O1c O    27.1600  -19.1100
            39  O1c O    24.3600  -19.1100
            40  O1c O    25.7600  -20.5100
BOND        40
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     4   8 2
            5     6   9 2
            6     5   7 2
            7     8   9 1
            8     1   2 2
            9     1   3 1
            10    1   4 1
            11    6  10 1
            12    3  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 2
            20   16  19 1
            21   17  20 1
            22   19  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   22  31 2
            33   24  32 1
            34   27  33 2
            35   29  34 1
            36   12  35 1 #Up
            37   36  37 2
            38   36  38 1
            39   36  39 1
            40   36  40 1

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