KEGG   DRUG: Taletrectinib
Entry
D12363                      Drug                                   
Name
Taletrectinib (USAN/INN)
Formula
C23H24FN5O
Exact mass
405.1965
Mol weight
405.468
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
    D12363  Taletrectinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   TRK family
    NTRK
     D12363  Taletrectinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03226  Taletrectinib
Other DBs
CAS: 1505514-27-1
LinkDB
KCF data

ATOM        30
            1   C8x C    14.4900  -12.8100
            2   C8y C    14.4900  -14.2100
            3   N5x N    15.7024  -14.9100
            4   N4y N    16.9149  -14.2100
            5   C8y C    16.9149  -12.8100
            6   C8x C    15.7024  -12.1100
            7   C8y C    18.2464  -14.6426
            8   C8x C    19.0693  -13.5100
            9   N5x N    18.2464  -12.3774
            10  C8y C    18.6775  -15.9694
            11  C8x C    17.7511  -16.9985
            12  C8x C    18.1838  -18.3299
            13  C8y C    19.5533  -18.6209
            14  C8x C    20.4797  -17.5918
            15  C8x C    20.0470  -16.2603
            16  O2a O    19.9834  -19.9446
            17  C1b C    21.3218  -20.2293
            18  C1c C    21.7570  -21.5695
            19  C1a C    23.1368  -21.8632
            20  N1a N    20.8305  -22.5980
            21  N1b N    13.2776  -14.9100
            22  C1c C    12.0821  -14.2196
            23  C8y C    10.8947  -14.9051
            24  C1a C    12.0820  -12.8103
            25  C8x C     9.7035  -14.2171
            26  C8y C     8.4910  -14.9169
            27  C8x C     8.4908  -16.3169
            28  C8x C     9.6820  -17.0049
            29  C8x C    10.8945  -16.3051
            30  X   F     7.2599  -14.2059
BOND        33
            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

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