KEGG   DRUG: Aumolertinib mesylate
Entry
D12259                      Drug                                   
Name
Aumolertinib mesylate (USAN);
Aumseqa (TN)
Formula
C30H35N7O2. CH4SO3
Exact mass
621.2733
Mol weight
621.75
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Remark
ATC code: L01EB11
Chemical structure group: DG03209
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB11 Aumolertinib
      D12259  Aumolertinib mesylate (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG03209  Aumolertinib
      D12259  Aumolertinib mesylate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D12259  Aumolertinib mesylate (USAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12259
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12259
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG03209  Aumolertinib
Other DBs
CAS: 2134096-06-1
PubChem: 497620672
LinkDB
KCF data

ATOM        44
            1   C8y C    15.8983  -13.9365
            2   N5x N    15.8983  -15.3370
            3   C8y C    17.0887  -16.0373
            4   N5x N    18.3492  -15.3370
            5   C8x C    18.3492  -13.9365
            6   C8x C    17.0887  -13.2363
            7   N1b N    17.0887  -17.4377
            8   C8y C    18.2792  -18.1380
            9   C8x C    18.2792  -19.5385
            10  C8y C    19.5396  -20.2387
            11  C8y C    20.7300  -19.5385
            12  C8x C    20.7300  -18.1380
            13  C8y C    19.5396  -17.4377
            14  O2a O    19.5396  -16.0373
            15  C1a C    20.7300  -15.3370
            16  N1c N    21.9204  -20.2387
            17  C1b C    23.1109  -19.5385
            18  C1b C    24.3013  -20.2387
            19  N1c N    25.4917  -19.5385
            20  C1a C    26.6821  -20.2387
            21  C1a C    25.4917  -18.1380
            22  C1a C    21.9204  -21.6392
            23  N1b N    19.5396  -21.6392
            24  C5a C    18.3492  -22.3395
            25  C2b C    17.1588  -21.6392
            26  C2a C    15.9683  -22.3395
            27  O5a O    18.3492  -23.7400
            28  C8y C    14.7079  -13.2363
            29  C8x C    14.7079  -11.8358
            30  N4y N    13.4475  -11.3456
            31  C8y C    12.5371  -12.4660
            32  C8y C    13.3774  -13.6564
            33  C1y C    13.0273  -10.0151
            34  C1x C    11.9769   -9.1048
            35  C1x C    13.3074   -8.6146
            36  C8x C    11.1366  -12.6060
            37  C8x C    10.5764  -13.8665
            38  C8x C    11.4167  -15.0569
            39  C8x C    12.8172  -14.9169
            40  S4a S    24.7100  -10.9200
            41  O1d O    24.7100   -9.5200
            42  O1d O    24.7100  -12.3200
            43  O1d O    26.1100  -10.9200
            44  C1a C    23.3100  -10.9200
BOND        47
            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     3   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   11  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   19  21 1
            23   16  22 1
            24   10  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 2
            28   24  27 2
            29    1  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   28  32 1
            35   30  33 1
            36   35  34 1
            37   34  33 1
            38   33  35 1
            39   31  36 2
            40   36  37 1
            41   37  38 2
            42   38  39 1
            43   32  39 2
            44   40  41 2
            45   40  42 2
            46   40  43 1
            47   40  44 1

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