KEGG   DRUG: Taletrectinib adipate
Entry
D12364                      Drug                                   
Name
Taletrectinib adipate (USAN)
Formula
C23H24FN5O. C6H10O4
Exact mass
551.2544
Mol weight
551.6092
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Remark
Chemical structure group: DG03226
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
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
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03226  Taletrectinib
    D12364  Taletrectinib adipate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    ROS1
     D12364  Taletrectinib adipate (USAN)
   TRK family
    NTRK
     D12364  Taletrectinib adipate (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03226  Taletrectinib
Other DBs
CAS: 1505515-69-4
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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