KEGG   DRUG: Dolutegravir sodium
Entry
D10113                      Drug                                   
Name
Dolutegravir sodium (JAN/USAN);
Tivicay (TN)
Product
DOLUTEGRAVIR SODIUM (ViiV Healthcare Company), TIVICAY (RedPharm Drug)
Formula
C20H18F2N3O5. Na
Exact mass
441.1112
Mol weight
441.36
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG03135  HIV integrase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
 DG02864  SLC47A1 inhibitor
Remark
Therapeutic category: 6250
ATC code: J05AJ03
Chemical structure group: DG00667
Product (DG00667): D10113<JP/US>
Product (mixture): D10600<JP/US> D11282<JP/US> D11522<JP/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]; CYP3A4 [HSA:1576]
Interaction
Transporter inhibition: SLC22A2 [HSA:6582], SLC47A1 [HSA:55244]
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
    J05AJ Integrase inhibitors
     J05AJ03 Dolutegravir
      D10113  Dolutegravir sodium (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Integrase Inhibitors (INSTI)
   Dolutegravir
    D10113  Dolutegravir sodium (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10113  Dolutegravir sodium (JAN/USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG00667  Dolutegravir
     D10113  Dolutegravir sodium
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00667  Dolutegravir
     D10113  Dolutegravir sodium
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG00667  Dolutegravir
     D10113  Dolutegravir sodium
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00667  Dolutegravir
    D10113  Dolutegravir sodium
  DG02864  SLC47A1 inhibitor
   DG00667  Dolutegravir
    D10113  Dolutegravir sodium
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D10113  Dolutegravir sodium
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    D10113  Dolutegravir sodium (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10113
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10113
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10113
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10113
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10113
 Drug transporters
  D10113
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10113
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG00667  Dolutegravir
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00667  Dolutegravir
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG00667  Dolutegravir
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG00667  Dolutegravir
  DG02864  SLC47A1 inhibitor
   DG00667  Dolutegravir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    DG00667  Dolutegravir
Other DBs
CAS: 1051375-19-9
PubChem: 135626831
ChEBI: 76007
LigandBox: D10113
KCF data

ATOM        31
            1   C8y C    21.5600  -21.8400
            2   N4y N    21.5600  -20.4400
            3   C8x C    22.7500  -19.7400
            4   C8y C    24.0100  -20.4400
            5   C8y C    24.0100  -21.8400
            6   C8y C    22.7500  -22.5400
            7   C5x C    20.3700  -22.5400
            8   N1y N    19.1100  -21.8400
            9   C1y C    19.1100  -20.4400
            10  C1x C    20.3700  -19.7400
            11  C1y C    17.8500  -22.5400
            12  C1x C    16.6600  -21.8400
            13  C1x C    16.6600  -20.4400
            14  O2x O    17.8500  -19.7400
            15  O5x O    20.3700  -23.9400
            16  O1a O    22.7500  -23.9400 #-
            17  O5x O    25.2000  -22.5400
            18  C5a C    25.2000  -19.7400
            19  N1b N    26.3900  -20.4400
            20  O5a O    25.2000  -18.3400
            21  C1b C    27.5800  -19.7400
            22  C8y C    28.7700  -20.4400
            23  C8x C    29.9600  -19.7400
            24  C8x C    31.2200  -20.4400
            25  C8y C    31.2200  -21.8400
            26  C8x C    30.0300  -22.5400
            27  C8y C    28.7700  -21.8400
            28  X   F    27.5800  -22.5400
            29  X   F    32.4100  -22.5400
            30  C1a C    19.1100  -23.2400
            31  Z   Na   24.6400  -24.5700 #+
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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  All links  
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (3)   

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