KEGG   DRUG: Osimertinib mesylateHelp
Entry
D10766                      Drug                                   

Name
Osimertinib mesylate (USAN);
Osimertinib mesilate (JAN);
Tagrisso (TN)
Product
Formula
C28H33N7O2. CH4SO3
Exact mass
595.2577
Mol weight
595.713
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Transporter inhibitor
 DG02862  ABCG2 (BCRP) inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XE35
Product: D10766<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Target
EGFR [HSA_VAR:1956v3] [HSA:1956] [KO:K04361]
  Network
N10006  Third-generation tyrosine kinase inhibitor to EGFR mutation
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Transporter inhibition: ABCG2 [HSA:9429]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE35 Osimertinib
      D10766  Osimertinib mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Osimertinib
    D10766  Osimertinib mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10766  Osimertinib mesylate (USAN); Osimertinib mesilate (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR [HSA_VAR:1956v3]
     D10766  Osimertinib mesylate (USAN) <JP/US>
Antineoplastics [br08340.html]
 D10766
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10766
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10766
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10766
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10766
Pharmacogenomic biomarkers [br08341.html]
 Companion diagnostics
  D10766
BRITE hierarchy
Other DBs
CAS: 1421373-66-1
PubChem: 310920484
ChEBI: 90948
ChEMBL: CHEMBL3545063
LinkDB All DBs
KCF data Show

ATOM        42
            1   C8y C    15.8155  -13.2242
            2   N5x N    15.8155  -14.6236
            3   C8y C    17.0050  -15.3233
            4   N5x N    18.2645  -14.6236
            5   C8x C    18.2645  -13.2242
            6   C8x C    17.0050  -12.5245
            7   C8y C    14.6003  -12.5262
            8   C8x C    14.6279  -11.1251
            9   N4y N    13.3039  -10.6659
            10  C8y C    12.4581  -11.7832
            11  C8y C    13.2592  -12.9328
            12  C8x C    11.0637  -11.9021
            13  C8x C    10.4694  -13.1690
            14  C8x C    11.2707  -14.3187
            15  C8x C    12.6650  -14.1998
            16  C1a C    12.8886   -9.2966
            17  N1b N    16.9878  -16.7226
            18  C8y C    18.2037  -17.4448
            19  C8x C    18.1866  -18.8219
            20  C8y C    19.3897  -19.5366
            21  C8y C    20.6803  -18.8521
            22  C8x C    20.6274  -17.4750
            23  C8y C    19.4243  -16.7602
            24  O2a O    19.3720  -15.3934
            25  C1a C    20.6720  -14.7043
            26  N1b N    19.3724  -20.9210
            27  C5a C    18.1606  -21.6005
            28  C2b C    16.9914  -20.9059
            29  O5a O    18.1425  -23.0191
            30  C2a C    15.7749  -21.5882
            31  N1c N    21.8239  -19.5735
            32  C1b C    23.0438  -18.8898
            33  C1a C    21.8058  -20.9907
            34  C1b C    24.2317  -19.5961
            35  N1c N    25.4394  -18.9193
            36  C1a C    26.6533  -19.6413
            37  C1a C    25.3871  -17.4925
            38  S4a S    25.1915  -11.9653
            39  O1d O    25.1915  -10.5658
            40  O1d O    25.1915  -13.3647
            41  C1a C    23.7921  -11.9653
            42  O1d O    26.5909  -11.9653
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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   10  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   11  15 2
            18    9  16 1
            19    3  17 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   23  24 1
            28   24  25 1
            29   20  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 2
            34   21  31 1
            35   31  32 1
            36   31  33 1
            37   32  34 1
            38   34  35 1
            39   35  36 1
            40   35  37 1
            41   38  39 2
            42   38  40 2
            43   38  41 1
            44   38  42 1

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