KEGG   DRUG: Mobocertinib
Entry
D12001                      Drug                                   

Name
Mobocertinib (USAN/INN)
Formula
C32H39N7O4
Exact mass
585.3064
Mol weight
585.6966
Structure
Remark
Chemical structure group: DG03148
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
EGFR [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D12001  Mobocertinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12001
Other DBs
CAS: 1847461-43-1
ChEMBL: CHEMBL4650319
LinkDB
KCF data

ATOM        43
            1   C8y C    19.3071  -20.0748
            2   C8y C    20.5662  -19.3753
            3   C8x C    20.5662  -17.9764
            4   C8y C    19.3771  -17.2769
            5   C8y C    18.1180  -17.9764
            6   C8x C    18.1180  -19.3753
            7   N1b N    16.9289  -17.2769
            8   C8y C    16.9289  -15.8780
            9   N5x N    18.1880  -15.1785
            10  C8x C    18.1880  -13.7796
            11  C8y C    16.9289  -13.0801
            12  C8y C    15.7398  -13.7796
            13  N5x N    15.7398  -15.1785
            14  C8y C    14.5507  -13.0801
            15  O2a O    19.3771  -15.8780
            16  C1a C    20.5662  -15.1785
            17  C8x C    14.2709  -11.6812
            18  N4y N    12.8720  -11.5413
            19  C8y C    12.3124  -12.8003
            20  C8y C    13.2917  -13.7096
            21  C8x C    10.9834  -13.2200
            22  C8x C    10.6337  -14.5490
            23  C8x C    11.6829  -15.5282
            24  C8x C    13.0119  -15.1086
            25  C1a C    12.1725  -10.2822
            26  N1c N    21.7553  -20.0748
            27  C1a C    21.7553  -21.4737
            28  C1b C    22.9444  -19.4453
            29  N1b N    19.3071  -21.4737
            30  C5a C    18.1180  -22.1732
            31  C2b C    16.8590  -21.4737
            32  O5a O    18.1180  -23.5722
            33  C1b C    24.2034  -20.1447
            34  N1c N    25.3925  -19.4453
            35  C1a C    26.5816  -20.1447
            36  C1a C    25.3925  -18.0463
            37  C2a C    15.6699  -22.1732
            38  C7a C    16.9289  -11.6812
            39  O7a O    15.7398  -10.9117
            40  O6a O    18.1180  -10.9117
            41  C1c C    15.7398   -9.5128
            42  C1a C    14.4808   -8.8133
            43  C1a C    16.9289   -8.8133
BOND        46
            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

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