KEGG   DRUG: Tuxobertinib
Entry
D12457                      Drug                                   
Name
Tuxobertinib (USAN/INN)
Formula
C29H29ClN6O4
Exact mass
560.1939
Mol weight
561.03
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
Treatment of malignant tumors
Target
EGFR [HSA:1956] [KO:K04361]
ERBB2 (HER2, CD340) [HSA:2064] [KO:K05083]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     D12457  Tuxobertinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D12457  Tuxobertinib (USAN/INN)
    ERBB2 (HER2, CD340)
     D12457  Tuxobertinib (USAN/INN)
Other DBs
CAS: 2414572-47-5
PubChem: 497620870
LinkDB
KCF data

ATOM        40
            1   C8x C    13.1982  -15.2450
            2   N5x N    13.1982  -16.6498
            3   C8y C    14.4147  -17.3522
            4   C8y C    15.6313  -16.6498
            5   C8y C    15.6313  -15.2450
            6   N5x N    14.4147  -14.5427
            7   C8x C    16.8478  -17.3522
            8   C8y C    18.0643  -16.6498
            9   C8y C    18.0643  -15.2450
            10  C8x C    16.8478  -14.5427
            11  O2a O    19.2660  -14.5512
            12  N1b N    19.2660  -17.3436
            13  N1b N    14.4147  -18.7567
            14  C8y C    15.6144  -19.4494
            15  C8x C    15.6145  -20.8637
            16  C8y C    16.8311  -21.5660
            17  C8y C    18.0476  -20.8635
            18  C8x C    18.0475  -19.4492
            19  C8x C    16.8309  -18.7470
            20  X   Cl   16.8312  -22.9710
            21  O2a O    19.2621  -21.5647
            22  C1b C    20.4601  -20.8726
            23  C8y C    21.6524  -21.5609
            24  N5x N    21.6526  -22.9709
            25  C8x C    22.8693  -23.6731
            26  C8x C    24.0857  -22.9705
            27  C8x C    24.0855  -21.5605
            28  C8x C    22.8688  -20.8583
            29  C5a C    20.4583  -16.6553
            30  C2b C    21.6532  -17.3452
            31  C2a C    22.8468  -16.6561
            32  O5a O    20.4584  -15.2452
            33  C1b C    19.2660  -13.1465
            34  C1b C    20.4653  -12.4536
            35  N1y N    21.6614  -13.1442
            36  C1x C    21.6617  -14.5596
            37  C1x C    22.8742  -15.2594
            38  O2x O    24.0865  -14.5592
            39  C1x C    24.0863  -13.1438
            40  C1x C    22.8737  -12.4440
BOND        44
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13    8  12 1
            14    3  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   16  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   12  29 1
            33   29  30 1
            34   30  31 2
            35   29  32 2
            36   11  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   35  40 1

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