Mobocertinib succinate


Entry
D11969                      Drug                                   
Name
Mobocertinib succinate (JAN);
Exkivity (TN)
Product
EXKIVITY (Takeda Pharmaceuticals America)
Formula
C32H39N7O4. C4H6O4
Exact mass
703.333
Mol weight
703.7846
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Chemical structure group: DG03148
Product (DG03148): D11969<US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR exon 20 insertion mutation) [DS:H00014]
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
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03148  Mobocertinib
     D11969  Mobocertinib succinate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03148  Mobocertinib
    D11969  Mobocertinib succinate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D11969  Mobocertinib succinate (JAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11969
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11969
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11969
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11969
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03148  Mobocertinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03148  Mobocertinib
KCF data

ATOM        51
            1   C8y C    19.3101  -20.0765
            2   C8y C    20.5691  -19.3770
            3   C8x C    20.5691  -17.9781
            4   C8y C    19.3800  -17.2786
            5   C8y C    18.1210  -17.9781
            6   C8x C    18.1210  -19.3770
            7   N1b N    16.9319  -17.2786
            8   C8y C    16.9319  -15.8797
            9   N5x N    18.1909  -15.1802
            10  C8x C    18.1909  -13.7813
            11  C8y C    16.9319  -13.0818
            12  C8y C    15.7428  -13.7813
            13  N5x N    15.7428  -15.1802
            14  C8y C    14.5537  -13.0818
            15  O2a O    19.3800  -15.8797
            16  C1a C    20.5691  -15.1802
            17  C8x C    14.2739  -11.6829
            18  N4y N    12.8750  -11.5430
            19  C8y C    12.3154  -12.8020
            20  C8y C    13.2947  -13.7113
            21  C8x C    10.9864  -13.2217
            22  C8x C    10.6367  -14.5507
            23  C8x C    11.6859  -15.5299
            24  C8x C    13.0149  -15.1103
            25  C1a C    12.1755  -10.2839
            26  N1c N    21.7582  -20.0765
            27  C1a C    21.7582  -21.4754
            28  C1b C    22.9473  -19.4470
            29  N1b N    19.3101  -21.4754
            30  C5a C    18.1210  -22.1749
            31  C2b C    16.8620  -21.4754
            32  O5a O    18.1210  -23.5738
            33  C1b C    24.2064  -20.1464
            34  N1c N    25.3955  -19.4470
            35  C1a C    26.5846  -20.1464
            36  C1a C    25.3955  -18.0480
            37  C2a C    15.6729  -22.1749
            38  C7a C    16.9319  -11.6829
            39  O7a O    15.7428  -10.9134
            40  O6a O    18.1210  -10.9134
            41  C1c C    15.7428   -9.5145
            42  C1a C    14.4838   -8.8150
            43  C1a C    16.9319   -8.8150
            44  C6a C    26.3900  -12.8800
            45  C1b C    27.6024  -13.5800
            46  O6a O    25.1776  -13.5800
            47  C1b C    28.7979  -12.8896
            48  C6a C    29.9853  -13.5751
            49  O6a O    31.1765  -12.8871
            50  O6a O    29.9855  -14.9798
            51  O6a O    26.3900  -11.4800
BOND        53
            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     5   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   12  14 1
            16    4  15 1
            17   15  16 1
            18   14  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   14  20 1
            23   19  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   20  24 1
            28   18  25 1
            29    2  26 1
            30   26  27 1
            31   26  28 1
            32    1  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 2
            36   28  33 1
            37   33  34 1
            38   34  35 1
            39   34  36 1
            40   31  37 2
            41   11  38 1
            42   38  39 1
            43   38  40 2
            44   39  41 1
            45   41  42 1
            46   41  43 1
            47   44  45 1
            48   44  46 1
            49   45  47 1
            50   47  48 1
            51   48  49 1
            52   48  50 2
            53   44  51 2