KEGG   DRUG: Rilpivirine
Entry
D09720                      Drug                                   
Name
Rilpivirine (JAN/USAN/INN);
Rekambys (TN)
Formula
C22H18N6
Exact mass
366.1593
Mol weight
366.4185
Structure
Simcomp
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
 DG03107  Anti-HIV agent
  DG01656  HIV reverse transcriptase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 6250
ATC code: J05AG05
Chemical structure group: DG00663
Product (DG00663): D09720<JP> D09958<JP/US>
Product (mixture): D10836<JP/US> D11966<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
Target
HIV-1 reverse transcriptase [KO:K24802]
  Pathway
ko03230  Viral genome structure
ko03240  Viral replication
ko03250  Viral life cycle - HIV-1
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
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
    J05AG Non-nucleoside reverse transcriptase inhibitors
     J05AG05 Rilpivirine
      D09720  Rilpivirine (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D09720  Rilpivirine (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
   DG00663  Rilpivirine
    D09720  Rilpivirine
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    DG00663  Rilpivirine
     D09720  Rilpivirine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00663  Rilpivirine
    D09720  Rilpivirine
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D09720  Rilpivirine
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D09720  Rilpivirine (JAN/USAN/INN) <JP>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09720
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09720
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09720
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09720
Drug groups [BR:br08330]
 Antiviral
  DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
   DG00663  Rilpivirine
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    DG00663  Rilpivirine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00663  Rilpivirine
Antimicrobials abbreviations [BR:br08327]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    DG00663  Rilpivirine
Other DBs
CAS: 500287-72-9
PubChem: 124490460
ChEBI: 68606
PDB-CCD: T27[PDBj]
LigandBox: D09720
KCF data

ATOM        28
            1   C8y C    22.1900  -21.7700
            2   C8x C    22.1900  -23.1700
            3   C8y C    23.4024  -23.8700
            4   C8y C    24.6149  -23.1700
            5   C8y C    24.6149  -21.7700
            6   C8x C    23.4024  -21.0700
            7   N1b N    25.8460  -23.8810
            8   C8y C    27.0512  -23.1853
            9   N5x N    28.2335  -23.8681
            10  C8y C    29.4460  -23.1683
            11  N5x N    29.4462  -21.7683
            12  C8x C    28.2638  -21.0855
            13  C8x C    27.0513  -21.7853
            14  N1b N    30.6770  -23.8793
            15  C8y C    31.8807  -23.1846
            16  C8x C    33.0637  -23.8678
            17  C8x C    34.2762  -23.1681
            18  C8y C    34.2765  -21.7681
            19  C8x C    33.0935  -21.0848
            20  C8x C    31.8810  -21.7846
            21  C1a C    25.8460  -21.0590
            22  C3b C    35.5057  -21.0585
            23  N3a N    36.7181  -20.3585
            24  C2b C    20.9776  -21.0700
            25  C2b C    19.7821  -21.7604
            26  C3b C    18.5947  -21.0749
            27  N3a N    17.3823  -20.3749
            28  C1a C    23.4024  -25.2698
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 2
            23    5  21 1
            24   18  22 1
            25   22  23 3
            26    1  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 3
            30    3  28 1

» Japanese version   » Back

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Ontology (9)   
   KEGG BRITE (9)   
Pathway (1)   
   KEGG PATHWAY (1)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (17)   

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