KEGG   DRUG: Cabotegravir sodium
Entry
D10549                      Drug                                   
Name
Cabotegravir sodium (JAN/USAN);
Vocabria (TN)
Product
Formula
C19H16F2N3O5. Na
Exact mass
427.0956
Mol weight
427.334
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG03135  HIV integrase inhibitor
Metabolizing enzyme substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
  DG03188  UGT1A9 substrate
Remark
Therapeutic category: 6250
ATC code: J05AJ04
Chemical structure group: DG01628
Product (DG01628): D10548<JP/US> D10549<JP/US>
Product (mixture): D11966<US>
Efficacy
Antiviral, HIV integrase inhibitor
  Disease
HIV-1 infection [DS:H01563]
Target
HIV-1 integrase [KO:K24803]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko03250  Viral life cycle - HIV-1
Metabolism
Enzyme: UGT1A1 [HSA:54658]; UGT1A9 [HSA:54600]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AJ Integrase inhibitors
     J05AJ04 Cabotegravir
      D10549  Cabotegravir sodium (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Integrase Inhibitors (INSTI)
   Cabotegravir
    D10549  Cabotegravir sodium (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10549  Cabotegravir sodium (JAN/USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG01628  Cabotegravir
     D10549  Cabotegravir sodium
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG01628  Cabotegravir
     D10549  Cabotegravir sodium
   DG03188  UGT1A9 substrate
    DG01628  Cabotegravir
     D10549  Cabotegravir sodium
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D10549  Cabotegravir sodium
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    D10549  Cabotegravir sodium (JAN/USAN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10549
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10549
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10549
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10549
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG01628  Cabotegravir
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG01628  Cabotegravir
   DG03188  UGT1A9 substrate
    DG01628  Cabotegravir
Other DBs
CAS: 1051375-13-3
PubChem: 254741511
ChEBI: 172948
LinkDB
KCF data

ATOM        30
            1   C8y C    17.9200  -17.4300
            2   N4y N    17.9200  -16.0300
            3   C8x C    19.1100  -15.3300
            4   C8y C    20.3700  -16.0300
            5   C8y C    20.3700  -17.4300
            6   C8y C    19.1100  -18.1300
            7   C5x C    16.7300  -18.1300
            8   N1y N    15.4700  -17.4300
            9   C1y C    15.4700  -16.0300
            10  C1x C    16.7300  -15.3300
            11  O5x O    16.7300  -19.5300
            12  O1a O    19.1100  -19.5300 #-
            13  O5x O    21.5600  -18.1300
            14  C5a C    21.5600  -15.3300
            15  N1b N    22.7500  -16.0300
            16  O5a O    21.5600  -13.9300
            17  C1b C    23.9400  -15.3300
            18  C8y C    25.1300  -16.0300
            19  C8x C    26.3200  -15.3300
            20  C8x C    27.5800  -16.0300
            21  C8y C    27.5800  -17.4300
            22  C8x C    26.3900  -18.1300
            23  C8y C    25.1300  -17.4300
            24  X   F    23.9400  -18.1300
            25  X   F    28.7700  -18.1300
            26  O2x O    14.1400  -15.6100
            27  C1x C    13.3000  -16.7300
            28  C1y C    14.1400  -17.8500
            29  C1a C    13.7200  -19.1800
            30  Z   Na   21.7000  -20.8600 #+
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    7  11 2
            13    6  12 1
            14    5  13 2
            15    4  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   23  24 1
            27   21  25 1
            28    9  26 1
            29   26  27 1
            30   27  28 1
            31    8  28 1
            32   28  29 1 #Up

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