KEGG   DRUG: Raltegravir potassium
Entry
D07133                      Drug                                   
Name
Raltegravir potassium (JAN/USAN);
Isentress (TN)
Product
ISENTRESS (A-S Medication Solutions), ISENTRESS (DIRECT RX), ISENTRESS (Direct_Rx), ISENTRESS (Merck Sharp & Dohme LLC), ISENTRESS (NuCare Pharmaceuticals), ISENTRESS (Pharmasource Meds), ISENTRESS (Proficient Rx LP), ISENTRESS (RPK Pharmaceuticals), ISENTRESS (RedPharm Drug)
Formula
C20H20FN6O5. K
Exact mass
482.1116
Mol weight
482.5067
Structure
Simcomp
Class
Antiviral
 DG03107  Anti-HIV agent
  DG03135  HIV integrase inhibitor
Metabolizing enzyme substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
Remark
Therapeutic category: 6250
ATC code: J05AJ01
Chemical structure group: DG00666
Product (DG00666): D07133<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]
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
    J05AJ Integrase inhibitors
     J05AJ01 Raltegravir
      D07133  Raltegravir potassium (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Integrase Inhibitors (INSTI)
   Raltegravir
    D07133  Raltegravir potassium (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D07133  Raltegravir potassium (JAN/USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG00666  Raltegravir
     D07133  Raltegravir potassium
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG00666  Raltegravir
     D07133  Raltegravir potassium
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D07133  Raltegravir potassium
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    D07133  Raltegravir potassium (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D07133
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07133
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07133
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07133
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07133
Drug groups [BR:br08330]
 Antiviral
  DG03107  Anti-HIV agent
   DG03135  HIV integrase inhibitor
    DG00666  Raltegravir
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG00666  Raltegravir
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HIV integrase inhibitor
    DG00666  Raltegravir
Other DBs
CAS: 871038-72-1
PubChem: 51091472
LigandBox: D07133
NIKKAJI: J2.601.657F
LinkDB
KCF data

ATOM        33
            1   C8y C    20.8600  -17.7100
            2   C5a C    22.0500  -17.0100
            3   N1b N    23.2400  -17.7100
            4   C1d C    24.5000  -17.0100
            5   C8y C    25.6900  -17.7100
            6   N5x N    26.8800  -17.0100
            7   C8y C    28.1400  -17.7100
            8   C5a C    29.3300  -17.0100
            9   N1b N    30.5200  -17.7100
            10  C1b C    31.7800  -17.0100
            11  C8y C    32.9700  -17.7100
            12  C8x C    34.1600  -17.0100
            13  C8x C    35.3500  -17.7100
            14  N4y N    25.6900  -19.1100
            15  C8y C    26.8800  -19.8100
            16  C8y C    28.1400  -19.1100
            17  C8x C    32.9700  -19.1100
            18  C8x C    34.1600  -19.8100
            19  C8y C    35.3500  -19.1100
            20  O5a O    29.3300  -15.6100
            21  O5x O    26.8800  -21.2100
            22  C1a C    24.5000  -19.8100
            23  O1a O    29.3300  -19.8100 #-
            24  C1a C    23.6600  -15.8900
            25  C1a C    25.2000  -15.8200
            26  O5a O    22.0500  -15.6100
            27  O2x O    19.6700  -16.8700
            28  C8y C    18.5500  -17.7100
            29  N5x N    19.0400  -19.0400
            30  N5x N    20.4400  -19.0400
            31  C1a C    17.2200  -17.2900
            32  X   F    36.5400  -19.8100
            33  Z   K    30.9192  -19.8135 #+
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13    5  14 1
            14   14  15 1
            15   15  16 1
            16   16   7 2
            17   11  17 1
            18   17  18 2
            19   18  19 1
            20   19  13 2
            21    8  20 2
            22   15  21 2
            23   14  22 1
            24   16  23 1
            25    4  24 1
            26    4  25 1
            27    2  26 2
            28    1  27 1
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32    1  30 2
            33   28  31 1
            34   19  32 1

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