KEGG   DRUG: Rilpivirine hydrochloride
Entry
D09958                      Drug                                   
Name
Rilpivirine hydrochloride (JAN/USAN);
Edurant (TN)
Product
RILPIVIRINE HYDROCHLORIDE (Janssen Products)
Formula
C22H18N6. HCl
Exact mass
402.136
Mol weight
402.8795
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): D10571<US> D10836<JP/US> D11282<JP/US> D11966<US>
Efficacy
Antiviral, Reverse transcriptase inhibitor
  Disease
HIV-1 infection [DS:H01563]
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
      D09958  Rilpivirine hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Rilpivirine
    D09958  Rilpivirine hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D09958  Rilpivirine hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Antiviral
  DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
   DG00663  Rilpivirine
    D09958  Rilpivirine hydrochloride
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    DG00663  Rilpivirine
     D09958  Rilpivirine hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00663  Rilpivirine
    D09958  Rilpivirine hydrochloride
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D09958  Rilpivirine hydrochloride
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D09958  Rilpivirine hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09958
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09958
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09958
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09958
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09958
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: 700361-47-3
PubChem: 135626683
ChEBI: 68602
LigandBox: D09958
KCF data

ATOM        29
            1   C8y C    25.2700  -26.3900
            2   C8x C    25.2700  -27.7900
            3   C8y C    26.4600  -28.4900
            4   C8y C    27.7200  -27.7900
            5   C8y C    27.7200  -26.3900
            6   C8x C    26.4600  -25.6900
            7   N1b N    28.9100  -28.4900
            8   C8y C    30.1700  -27.7900
            9   N5x N    31.2900  -28.4900
            10  C8y C    32.5500  -27.7900
            11  N5x N    32.5500  -26.3900
            12  C8x C    31.3600  -25.6900
            13  C8x C    30.1700  -26.3900
            14  N1b N    33.8100  -28.4900
            15  C8y C    35.0000  -27.7900
            16  C8x C    36.1900  -28.4900
            17  C8x C    37.3800  -27.7900
            18  C8y C    37.3800  -26.3900
            19  C8x C    36.1900  -25.6900
            20  C8x C    35.0000  -26.3900
            21  C1a C    28.9100  -25.6900
            22  C3b C    38.6400  -25.6900
            23  N3a N    39.8300  -24.9900
            24  C2b C    24.0800  -25.6900
            25  C2b C    22.8200  -26.3900
            26  C3b C    21.6300  -25.6900
            27  N3a N    20.4400  -24.9900
            28  C1a C    26.4600  -29.8900
            29  X   Cl   39.9000  -29.3300
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

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Ontology (11)   
   KEGG BRITE (11)   
Pathway (1)   
   KEGG PATHWAY (1)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (18)   

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