KEGG   DRUG: Lenacapavir sodium
Entry
D12162                      Drug                                   
Name
Lenacapavir sodium (JAN/USAN);
Sunlenca (TN)
Product
Formula
C39H31ClF10N7O5S2. Na
Exact mass
989.1255
Mol weight
990.2641
Structure
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 6250
ATC code: J05AX31
Chemical structure group: DG03165
Product (DG03165): D12162<JP/US>
Efficacy
Antiviral, HIV-1 capsid protein inhibitor
  Disease
HIV-1 infection [DS:H01563]
Comment
Treatment of HIV-1 infection
Target
HIV-1 capsid protein [KO:K25306]
  Pathway
ko03230  Viral genome structure
ko03250  Viral life cycle - HIV-1
ko03260  Virion - Human immunodeficiency virus
Metabolism
Enzyme: UGT1A1 [HSA:54658], CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243]
Interaction
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
     J05AX31 Lenacapavir
      D12162  Lenacapavir sodium (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Other
   Lenacapavir
    D12162  Lenacapavir sodium (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D12162  Lenacapavir sodium (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03165  Lenacapavir
    D12162  Lenacapavir sodium
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03165  Lenacapavir
     D12162  Lenacapavir sodium
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03165  Lenacapavir
    D12162  Lenacapavir sodium
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   HIV core protein inhibitor
    D12162  Lenacapavir sodium (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12162
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12162
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12162
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12162
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12162
 Drug transporters
  D12162
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03165  Lenacapavir
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03165  Lenacapavir
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03165  Lenacapavir
Other DBs
CAS: 2283356-12-5
LinkDB
KCF data

ATOM        65
            1   C8y C    24.1006  -13.5215
            2   C8x C    22.9096  -14.2221
            3   C8y C    22.9096  -15.6233
            4   C8x C    24.1706  -16.3239
            5   C8y C    25.3616  -15.6233
            6   C8x C    25.3616  -14.1521
            7   C1b C    21.7185  -16.3239
            8   C1c C    20.5275  -15.6934
            9   C8y C    19.2664  -16.3940
            10  N5x N    18.0754  -15.7635
            11  C8y C    16.8844  -16.4640
            12  C8x C    16.8844  -17.8652
            13  C8x C    18.0754  -18.4958
            14  C8y C    19.2664  -17.7952
            15  N1b N    20.4575  -14.2922
            16  C5a C    19.2664  -13.5916
            17  C1b C    19.2664  -12.2605
            18  O5a O    18.0754  -14.3623
            19  C3b C    15.6233  -15.7635
            20  C3b C    14.4323  -15.0629
            21  C1d C    13.1712  -14.3623
            22  S4a S    11.9802  -13.7317
            23  C1a C    13.9419  -13.1712
            24  C1a C    12.5407  -15.6233
            25  C1a C    10.7191  -13.0311
            26  O3c O    12.6808  -12.4706
            27  O3c O    11.2796  -14.9227
            28  C8y C    20.5275  -18.4257
            29  C8y C    20.5275  -19.8269
            30  C8y C    21.7886  -20.5275
            31  C8y C    22.9796  -19.8269
            32  C8x C    22.9796  -18.4257
            33  C8x C    21.7185  -17.7251
            34  X   Cl   24.1706  -20.5275
            35  N4y N    19.5467  -20.8078
            36  N5x N    20.0371  -22.0688
            37  C8y C    21.5084  -21.9287
            38  C1b C    18.2155  -20.5976
            39  C1d C    17.2347  -21.6485
            40  X   F    16.3239  -22.6293
            41  X   F    16.2539  -20.6676
            42  X   F    18.2155  -22.5593
            43  N1b N    22.4892  -22.9796 #-
            44  S4a S    22.0688  -24.3107
            45  C1a C    21.3682  -25.5018
            46  O3c O    20.8778  -23.6802
            47  O3c O    23.2598  -25.0113
            48  X   F    26.6227  -16.2539
            49  X   F    24.1006  -12.1203
            50  N4y N    18.0754  -11.5599
            51  C8y C    18.0754  -10.1587
            52  C8y C    16.7443   -9.7383
            53  C8y C    15.9036  -10.8593
            54  N5x N    16.6742  -11.9802
            55  C1z C    18.9161   -9.0377
            56  C1y C    18.0754   -7.8467
            57  C1y C    16.7443   -8.3371
            58  X   F    20.3173   -9.0377
            59  X   F    19.5467  -10.2988
            60  C1x C    17.0245   -6.9359
            61  C1d C    14.5024  -10.8593
            62  X   F    13.1012  -10.8593
            63  X   F    14.5024   -9.4581
            64  X   F    14.5024  -12.2605
            65  Z   Na   25.7600  -22.8900 #+
BOND        70
            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     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 2
            16    8  15 1 #Up
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   11  19 1
            21   19  20 3
            22   20  21 1
            23   21  22 1
            24   21  23 1
            25   21  24 1
            26   22  25 1
            27   22  26 2
            28   22  27 2
            29   14  28 1
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   28  33 2
            36   31  34 1
            37   29  35 1
            38   35  36 1
            39   36  37 2
            40   30  37 1
            41   35  38 1
            42   38  39 1
            43   39  40 1
            44   39  41 1
            45   39  42 1
            46   37  43 1
            47   43  44 1
            48   44  45 1
            49   44  46 2
            50   44  47 2
            51    5  48 1
            52    1  49 1
            53   17  50 1
            54   50  51 1
            55   51  52 2
            56   52  53 1
            57   53  54 2
            58   50  54 1
            59   51  55 1
            60   55  56 1
            61   56  57 1
            62   52  57 1
            63   55  58 1
            64   55  59 1
            65   56  60 1
            66   60  57 1
            67   53  61 1
            68   61  62 1
            69   61  63 1
            70   61  64 1

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