KEGG   DRUG: Zongertinib
Entry
D12879                      Drug                                   
Name
Zongertinib (JAN/USAN/INN);
Hernexeos (TN)
Product
HERNEXEOS (Boehringer Ingelheim Pharmaceuticals)
Formula
C29H29N9O2
Exact mass
535.2444
Mol weight
535.60
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Product: D12879<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:2064] [KO:K05083]
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06210  ERK signaling (cancer)
nt06266  Non-small cell lung cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    D12879  Zongertinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    ERBB2 (HER2, CD340)
     D12879  Zongertinib (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12879
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12879
Other DBs
CAS: 2728667-27-2
PubChem: 497621292
LinkDB
KCF data

ATOM        40
            1   C8y C    15.6800  -13.1600
            2   C8y C    15.6800  -14.5600
            3   C8y C    14.4900  -15.2600
            4   N5x N    13.2300  -14.5600
            5   C8x C    13.2300  -13.1600
            6   N5x N    14.4900  -12.4600
            7   C8x C    16.8700  -12.4600
            8   N5x N    18.1300  -13.1600
            9   C8y C    18.1300  -14.5600
            10  N5x N    16.8700  -15.2600
            11  N1y N    19.3200  -15.2600
            12  C1x C    20.5100  -14.5600
            13  C1x C    21.7700  -15.2600
            14  C1y C    21.7700  -16.6600
            15  C1x C    20.5800  -17.3600
            16  C1x C    19.3200  -16.6600
            17  N1b N    22.9600  -17.3600
            18  C5a C    24.1500  -16.6600
            19  C2b C    25.3400  -17.3600
            20  O5a O    24.1500  -15.2600
            21  C2a C    26.5300  -16.6600
            22  N1b N    14.4900  -16.6600
            23  C8y C    15.7024  -17.3600
            24  C8x C    15.7024  -18.7598
            25  C8y C    16.9149  -19.4598
            26  C8y C    18.1273  -18.7598
            27  C8x C    18.1273  -17.3600
            28  C8x C    16.9149  -16.6600
            29  O2a O    19.3418  -19.4610
            30  C1a C    16.9149  -20.8598
            31  C8y C    19.3419  -20.8598
            32  C8x C    18.1131  -21.5695
            33  C8x C    18.1133  -22.9695
            34  C8y C    19.3258  -23.6693
            35  C8y C    20.5546  -22.9597
            36  C8x C    20.5544  -21.5597
            37  N4y N    19.6211  -25.0573
            38  C8x C    21.0323  -25.2054
            39  N5x N    21.6093  -23.9090
            40  C1a C    18.6738  -26.1099
BOND        45
            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 2
            11    2  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 2
            24    3  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   26  29 1
            33   25  30 1
            34   29  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   31  36 1
            41   34  37 1
            42   37  38 1
            43   38  39 2
            44   35  39 1
            45   37  40 1

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