KEGG   DRUG: Cabotegravir
Entry
D10548                      Drug                                   
Name
Cabotegravir (JAN/USAN/INN)
Product
Formula
C19H17F2N3O5
Exact mass
405.1136
Mol weight
405.3522
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG03135  HIV integrase inhibitor
Remark
ATC code: J05AJ04
Chemical structure group: DG01628
Product (DG01628): D10548<US> D10549<US>
Product (mixture): D11966<US>
Efficacy
Antiviral, HIV integrase inhibitor
Target
HIV-1 integrase [KO:K24803]
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
      D10548  Cabotegravir (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Integrase Inhibitors (INSTI)
   Cabotegravir
    D10548  Cabotegravir (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG01628  Cabotegravir
     D10548  Cabotegravir
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D10548  Cabotegravir
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    D10548  Cabotegravir (JAN/USAN/INN) <US>
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG01628  Cabotegravir
Other DBs
CAS: 1051375-10-0
PubChem: 254741510
ChEBI: 172944
LinkDB
KCF data

ATOM        29
            1   C8y C    18.0600  -17.4300
            2   N4y N    18.0600  -16.0300
            3   C8x C    19.2500  -15.3300
            4   C8y C    20.5100  -16.0300
            5   C8y C    20.5100  -17.4300
            6   C8y C    19.2500  -18.1300
            7   C5x C    16.8700  -18.1300
            8   N1y N    15.6100  -17.4300
            9   C1y C    15.6100  -16.0300
            10  C1x C    16.8700  -15.3300
            11  O5x O    16.8700  -19.5300
            12  O1a O    19.2500  -19.5300
            13  O5x O    21.7000  -18.1300
            14  C5a C    21.7000  -15.3300
            15  N1b N    22.8900  -16.0300
            16  O5a O    21.7000  -13.9300
            17  C1b C    24.0800  -15.3300
            18  C8y C    25.2700  -16.0300
            19  C8x C    26.4600  -15.3300
            20  C8x C    27.7200  -16.0300
            21  C8y C    27.7200  -17.4300
            22  C8x C    26.5300  -18.1300
            23  C8y C    25.2700  -17.4300
            24  X   F    24.0800  -18.1300
            25  X   F    28.9100  -18.1300
            26  O2x O    14.2785  -15.5974
            27  C1x C    13.4556  -16.7300
            28  C1y C    14.2785  -17.8626
            29  C1a C    13.8497  -19.1822
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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