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
Remark
ATC code: J05AJ04
Chemical structure group: DG01628
Product (DG01628): D10549<US>
Product (mixture): D11966<US>
Efficacy
Antiviral, HIV integrase inhibitor
  Disease
HIV-1 infection [DS:D01563]
Target
HIV-1 integrase
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) <US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10549
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10549
Other DBs
CAS: 1051375-13-3
PubChem: 254741511
ChEMBL: CHEMBL3137330
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

» Japanese version   » Back

DBGET integrated database retrieval system