KEGG   DRUG: DolutegravirHelp
Entry
D10066                      Drug                                   

Name
Dolutegravir (USAN);
Tivicay (TN)
Formula
C20H19F2N3O5
Exact mass
419.1293
Mol weight
419.3788
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Transporter inhibitor
 DG02863  SLC22A2 (OCT2) inhibitor
 DG02864  SLC47A1 (MATE1) inhibitor
Remark
ATC code: J05AX12
Chemical structure group: DG00667
Product (DG00667): D10113<JP/US>
Product (mixture): D10600<JP/US>
Efficacy
Antiviral, HIV integrase inhibitor
Comment
Treatment of HIV infection
Target
HIV-1 integrase
Metabolism
Enzyme: UGT1A1 [HSA:54658]; CYP3A4 [HSA:1576]
Interaction
Transporter inhibition: SLC22A2 [HSA:6582], SLC47A1 [HSA:55244]
Drug interaction
Structure map
map07053  Anti-HIV agents
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
     J05AX12 Dolutegravir
      D10066  Dolutegravir (USAN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Integrase Inhibitors (INSTI)
   Dolutegravir
    D10066  Dolutegravir (USAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10066
BRITE hierarchy
Other DBs
CAS: 1051375-16-6
PubChem: 135626786
ChEBI: 76010
ChEMBL: CHEMBL1229211
PDB-CCD: DLU[PDBj]
LigandBox: D10066
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    17.0100  -20.8600
            2   N4y N    17.0100  -19.4600
            3   C8x C    18.2000  -18.7600
            4   C8y C    19.4600  -19.4600
            5   C8y C    19.4600  -20.8600
            6   C8y C    18.2000  -21.5600
            7   C5x C    15.8200  -21.5600
            8   N1y N    14.5600  -20.8600
            9   C1y C    14.5600  -19.4600
            10  C1x C    15.8200  -18.7600
            11  C1y C    13.3700  -21.5600
            12  C1x C    12.1800  -20.8600
            13  C1x C    12.1800  -19.4600
            14  O2x O    13.3700  -18.7600
            15  O5x O    15.8200  -22.9600
            16  O1a O    18.2000  -22.9600
            17  O5x O    20.6500  -21.5600
            18  C5a C    20.6500  -18.7600
            19  N1b N    21.8400  -19.4600
            20  O5a O    20.6500  -17.3600
            21  C1b C    23.0300  -18.7600
            22  C8y C    24.2200  -19.4600
            23  C8x C    25.4100  -18.7600
            24  C8x C    26.6700  -19.4600
            25  C8y C    26.6700  -20.8600
            26  C8x C    25.4800  -21.5600
            27  C8y C    24.2200  -20.8600
            28  X   F    23.0300  -21.5600
            29  X   F    27.8600  -21.5600
            30  C1a C    14.5600  -22.2600
BOND        33
            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    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    7  15 2
            18    6  16 1
            19    5  17 2
            20    4  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   27  28 1
            32   25  29 1
            33   11  30 1 #Down

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