KEGG   DRUG: Taletrectinib adipate
Entry
D12364                      Drug                                   
Name
Taletrectinib adipate (JAN/USAN);
Ibtrozi (TN)
Product
IBTROZI (Nuvation Bio)
Formula
C23H24FN5O. C6H10O4
Exact mass
551.2544
Mol weight
551.61
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 4291
Chemical structure group: DG03226
Product (DG03226): D12364<US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (ROS1 positive) [DS:H00014]
Target
ROS1 [HSA:6098] [KO:K05088]
NTRK [HSA:4914 4915 4916] [KO:K03176 K04360 K05101]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04722  Neurotrophin signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; CYP2C8 [HSA:1558], CYP2C9 [HSA:1559]
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12364  Taletrectinib adipate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03226  Taletrectinib
    D12364  Taletrectinib adipate
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG03226  Taletrectinib
    D12364  Taletrectinib adipate
  DG01642  CYP2C9 substrate
   DG03226  Taletrectinib
    D12364  Taletrectinib adipate
  DG01633  CYP3A/CYP3A4 substrate
   DG03226  Taletrectinib
    D12364  Taletrectinib adipate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    ROS1
     D12364  Taletrectinib adipate (JAN/USAN) <US>
   TRK family
    NTRK
     D12364  Taletrectinib adipate (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12364
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12364
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12364
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12364
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12364
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03226  Taletrectinib
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG03226  Taletrectinib
  DG01642  CYP2C9 substrate
   DG03226  Taletrectinib
  DG01633  CYP3A/CYP3A4 substrate
   DG03226  Taletrectinib
Other DBs
CAS: 1505515-69-4
PubChem: 497620777
LinkDB
KCF data

ATOM        40
            1   C8x C    17.9152  -11.4069
            2   C8y C    17.9152  -12.8065
            3   N5x N    19.1048  -13.5064
            4   N4y N    20.2945  -12.8065
            5   C8y C    20.2945  -11.4069
            6   C8x C    19.1048  -10.7071
            7   C8y C    21.6242  -13.2264
            8   C8x C    22.4639  -12.1067
            9   N5x N    21.6242  -10.9171
            10  C8y C    22.1140  -14.5561
            11  C8x C    21.1343  -15.6058
            12  C8x C    21.6242  -16.9354
            13  C8y C    22.9538  -17.2154
            14  C8x C    23.8636  -16.1656
            15  C8x C    23.4437  -14.8360
            16  O2a O    23.3737  -18.5450
            17  C1b C    24.7733  -18.8249
            18  C1c C    25.1932  -20.1546
            19  C1a C    26.5928  -20.4345
            20  N1a N    24.2135  -21.2043
            21  N1b N    16.6555  -13.5064
            22  C1c C    15.4658  -12.8065
            23  C8y C    14.2762  -13.5064
            24  C1a C    15.4658  -11.4069
            25  C8x C    13.0865  -12.8065
            26  C8y C    11.8968  -13.5064
            27  C8x C    11.8968  -14.9060
            28  C8x C    13.0865  -15.6058
            29  C8x C    14.2762  -14.9060
            30  X   F    10.6371  -12.8065
            31  O6a O    27.5800  -14.7000
            32  C6a C    28.7924  -15.4000
            33  C1b C    29.9879  -14.7096
            34  O6a O    28.7925  -16.7998
            35  C1b C    31.1753  -15.3951
            36  C1b C    32.3665  -14.7071
            37  C1b C    33.5560  -15.3938
            38  C6a C    34.7461  -14.7065
            39  O6a O    35.9362  -15.3935
            40  O6a O    34.7461  -13.3002
BOND        42
            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 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    7  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 1 #Up
            23    2  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1 #Up
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   23  29 1
            33   26  30 1
            34   31  32 1
            35   32  33 1
            36   32  34 2
            37   33  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   38  40 2

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