KEGG   DRUG: Sevabertinib hydrate
Entry
D13116                      Drug                                   
Name
Sevabertinib hydrate (JAN);
Hyrnuo (TN)
Product
Formula
C24H25ClN4O5. xH2O
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01891  CYP1A1 substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01EH06
Chemical structure group: DG03348
Product (DG03348): D13116<US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-squamous non-small cell lung cancer (HER2 activating mutation) [DS:H00014]
Target
ERBB2* (HER2, CD340) [HSA_VAR:2064v1 2064v2] [HSA:2064] [KO:K05083]
EGFR [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
  Network
nt06210  ERK signaling (cancer)
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; CYP1A1 [HSA:1543]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EH Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors
     L01EH06 Sevabertinib
      D13116  Sevabertinib hydrate (JAN) <US>
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03348  Sevabertinib
     D13116  Sevabertinib hydrate
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   DG03348  Sevabertinib
    D13116  Sevabertinib hydrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03348  Sevabertinib
    D13116  Sevabertinib hydrate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D13116  Sevabertinib hydrate (JAN) <US>
    ERBB2* (HER2, CD340) [HSA_VAR:2064v1 2064v2]
     D13116  Sevabertinib hydrate (JAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D13116
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D13116
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D13116
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D13116
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03348  Sevabertinib
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   DG03348  Sevabertinib
  DG01633  CYP3A/CYP3A4 substrate
   DG03348  Sevabertinib
Other DBs
PubChem: 513131720
LinkDB
KCF data

ATOM        35
            1   C8y C    21.6006  -14.8198
            2   C8y C    21.6006  -16.2179
            3   C5x C    22.7890  -16.9170
            4   N1x N    24.0473  -16.2179
            5   C1x C    24.0473  -14.8198
            6   C1x C    22.7890  -14.1208
            7   N4x N    20.2724  -14.4004
            8   C8y C    19.4335  -15.5189
            9   C8y C    20.2724  -16.6374
            10  C8y C    18.0355  -15.5189
            11  C8y C    17.3364  -14.2606
            12  C8x C    15.9383  -14.2606
            13  N5x N    15.2393  -15.5189
            14  C8x C    15.9383  -16.7073
            15  C8x C    17.3364  -16.7073
            16  O2a O    18.0355  -13.0722
            17  C1b C    17.3364  -11.8838
            18  C1y C    15.9383  -11.8838
            19  C1x C    15.2393  -10.6954
            20  O2x O    13.8412  -10.6954
            21  C1x C    13.1421  -11.9537
            22  C1x C    13.8412  -13.1421
            23  O2x O    15.2393  -13.1421
            24  O5x O    22.7890  -18.3151
            25  N1b N    19.8530  -17.9655
            26  C8y C    18.4549  -18.2452
            27  C8x C    17.5461  -17.1966
            28  C8x C    16.1480  -17.4762
            29  C8x C    15.7286  -18.8044
            30  C8y C    16.6374  -19.8530
            31  C8y C    18.0355  -19.5734
            32  O2a O    18.9442  -20.6219
            33  C1a C    20.2724  -20.3423
            34  X   Cl   16.2179  -21.1812
            35  O0  O    27.0900  -20.5100
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 2
            10    2   9 1
            11    8  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   11  16 1
            19   16  17 1
            20   18  17 1 #Up
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27    3  24 2
            28    9  25 1
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   26  31 1
            36   31  32 1
            37   32  33 1
            38   30  34 1
BRACKET     1    25.0600  -21.5600   25.0600  -19.4600
            1    27.8600  -19.4600   27.8600  -21.5600
            1  x
 ORIGINAL  1   35
 REPEAT    1

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