KEGG   DRUG: Doravirine
Entry
D10624                      Drug                                   
Name
Doravirine (JAN/USAN/INN);
Pifeltro (TN)
  Abbr
DOR
Product
PIFELTRO (A-S Medication Solutions), PIFELTRO (A-S Medication Solutions), PIFELTRO (Merck Sharp & Dohme LLC)
Formula
C17H11ClF3N5O3
Exact mass
425.0503
Mol weight
425.7492
Structure
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: J05AG06
Product: D10624<JP/US>
Product (mixture): D11396<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
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
     J05AG06 Doravirine
      D10624  Doravirine (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Non-nucleoside Reverse Transcriptase Inhibitors (NNRTI)
   Doravirine
    D10624  Doravirine (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10624  Doravirine (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antiviral
  DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
   D10624  Doravirine
  DG03107  Anti-HIV agent
   DG01656  HIV reverse transcriptase inhibitor
    D10624  Doravirine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D10624  Doravirine
Drug classes [BR:br08332]
 Antiviral
  DG03107  Anti-HIV agent
   D10624  Doravirine
Antimicrobials [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D10624  Doravirine (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10624
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10624
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10624
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10624
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10624
Other DBs
CAS: 1338225-97-0
PubChem: 254741585
PDB-CCD: 2KW[PDBj]
LinkDB
KCF data

ATOM        29
            1   C8x C    14.2557  -16.0257
            2   C8y C    14.2557  -17.3764
            3   C8x C    15.4254  -18.0516
            4   C8y C    16.5951  -17.3764
            5   C8x C    16.5951  -16.0257
            6   C8y C    15.4254  -15.3504
            7   X   Cl   15.4254  -13.9997
            8   O2a O    17.7648  -18.0516
            9   C8y C    18.9346  -17.3764
            10  C8y C    20.0898  -18.0434
            11  C8x C    21.2596  -17.3683
            12  C8x C    21.2597  -16.0176
            13  N4y N    20.1044  -15.3505
            14  C8y C    18.9347  -16.0257
            15  C1d C    20.0898  -19.3941
            16  X   F    18.7392  -19.3941
            17  X   F    21.4405  -19.3941
            18  X   F    20.0898  -20.7447
            19  C1b C    20.1044  -13.9998
            20  O5x O    17.7650  -15.3504
            21  C3b C    13.0717  -18.0599
            22  N3a N    11.8872  -18.7438
            23  C8y C    21.3168  -13.2998
            24  N4y N    22.6234  -13.8818
            25  C8y C    23.5807  -12.8191
            26  N4x N    22.8658  -11.5802
            27  N5x N    21.4666  -11.8773
            28  C1a C    22.9857  -15.2341
            29  O5x O    24.9330  -13.1814
BOND        31
            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     6   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   10  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 1
            20   13  19 1
            21   14  20 2
            22    2  21 1
            23   21  22 3
            24   19  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   23  27 2
            30   24  28 1
            31   25  29 2

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