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KEGG   DRUG: Rilpivirine hydrochloride
Entry
D09958                      Drug                                   
Name
Rilpivirine hydrochloride (JAN/USAN);
Edurant (TN)
Product
RILPIVIRINE HYDROCHLORIDE (Janssen Products)
Formula
C22H18N6. HCl
Exact mass
402.1360
Mol weight
402.88
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
LinkDB
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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