Larotrectinib sulfate


Entry
D11138                      Drug                                   
Name
Larotrectinib sulfate (JAN/USAN);
Vitrakvi (TN)
Product
VITRAKVI (Bayer HealthCare Pharmaceuticals), VITRAKVI (Loxo Oncology)
Formula
C21H22F2N6O2. H2SO4
Exact mass
526.1446
Mol weight
526.5137
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EX12
Chemical structure group: DG02923
Product (DG02923): D11138<JP/US>
Efficacy
Antineoplastic, Tropomyosin receptor kinase inhibitor
  Disease
Solid tumors (NTRK gene fusion-positive) [DS:H02421]
Comment
Treatment of TRK positive tumors
Target
NTRK [HSA:4914 4915 4916] [KO:K03176 K04360 K05101]
  Pathway
hsa04722  Neurotrophin signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX12 Larotrectinib
      D11138  Larotrectinib sulfate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Larotrectinib
    D11138  Larotrectinib sulfate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11138  Larotrectinib sulfate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG02923  Larotrectinib
     D11138  Larotrectinib sulfate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02923  Larotrectinib
    D11138  Larotrectinib sulfate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   TRK family
    NTRK
     D11138  Larotrectinib sulfate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11138
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11138
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11138
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11138
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11138
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11138
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG02923  Larotrectinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02923  Larotrectinib
Other DBs
CAS: 1223405-08-0
PubChem: 376219062
KCF data

ATOM        36
            1   C8x C    17.1089  -15.5662
            2   C8y C    17.1089  -16.9686
            3   N5x N    18.3010  -17.6698
            4   C8y C    19.4930  -16.9686
            5   N4y N    19.4930  -15.5662
            6   C8x C    18.3010  -14.8650
            7   C8y C    20.8252  -17.3893
            8   C8x C    21.6666  -16.2674
            9   N5x N    20.8252  -15.1455
            10  N1b N    21.3160  -18.7215
            11  C5a C    22.7184  -18.7215
            12  O5a O    23.4196  -19.9136
            13  N1y N    23.4196  -17.4594
            14  C1x C    24.8219  -17.4595
            15  C1x C    25.3128  -16.1973
            16  C1y C    24.1909  -15.3559
            17  C1x C    22.9989  -16.1272
            18  O1a O    24.1909  -13.9535
            19  N1y N    15.8468  -17.6698
            20  C1y C    14.5847  -17.1088
            21  C1x C    13.6732  -18.1606
            22  C1x C    14.3743  -19.3526
            23  C1x C    15.7066  -19.0721
            24  C8y C    14.3042  -15.7065
            25  C8x C    15.3560  -14.7949
            26  C8y C    15.0755  -13.3926
            27  C8x C    13.7433  -12.9719
            28  C8x C    12.6915  -13.8834
            29  C8y C    12.9720  -15.2858
            30  X   F    16.0572  -12.4810
            31  X   F    11.9202  -16.1973
            32  S4a S    28.4900  -16.8000
            33  O1d O    28.4900  -15.4000
            34  O1d O    28.4900  -18.2000
            35  O1d O    27.0900  -16.8000
            36  O1d O    29.8900  -16.8000
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 2
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 1
            20   16  18 1 #Up
            21    2  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   19  23 1
            27   20  24 1 #Down
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   26  30 1
            35   29  31 1
            36   32  33 2
            37   32  34 2
            38   32  35 1
            39   32  36 1