KEGG   DRUG: Firmonertinib
Entry
D12956                      Drug                                   
Name
Firmonertinib (USAN/INN)
Formula
C28H31F3N8O2
Exact mass
568.2522
Mol weight
568.59
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical structure group: DG03322
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03322  Firmonertinib
     D12956  Firmonertinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D12956  Firmonertinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03322  Firmonertinib
Other DBs
CAS: 1869057-83-9
PubChem: 503268976
LinkDB
KCF data

ATOM        41
            1   C8y C    14.1400  -17.1500
            2   N5x N    14.1400  -18.5500
            3   C8y C    15.3300  -19.2500
            4   N5x N    16.5900  -18.5500
            5   C8x C    16.5900  -17.1500
            6   C8x C    15.3300  -16.4500
            7   N1b N    15.3300  -20.6500
            8   C8y C    16.5200  -21.3500
            9   C8x C    16.5200  -22.7500
            10  C8y C    17.7800  -23.4500
            11  C8y C    18.9700  -22.7500
            12  N5x N    18.9700  -21.3500
            13  C8y C    17.7800  -20.6500
            14  N1b N    17.7800  -24.8500
            15  C5a C    16.5900  -25.5500
            16  C2b C    15.4000  -24.8500
            17  C2a C    14.2100  -25.5500
            18  O5a O    16.5900  -26.9500
            19  C8y C    12.9500  -16.4500
            20  C8x C    12.8100  -15.0500
            21  N4y N    11.4100  -14.7700
            22  C8y C    10.7100  -15.9600
            23  C8y C    11.6200  -17.0100
            24  C8x C     9.3800  -16.2400
            25  C8x C     8.8900  -17.5700
            26  C8x C     9.8700  -18.6200
            27  C8x C    11.2000  -18.3400
            28  C1a C    10.8500  -13.5100
            29  O2a O    17.7800  -19.2500
            30  C1b C    18.9700  -18.5500
            31  C1d C    20.1600  -19.2500
            32  X   F    21.4200  -19.9500
            33  X   F    20.8600  -17.9900
            34  X   F    19.4600  -20.4400
            35  N1c N    20.2300  -23.3800
            36  C1b C    21.4200  -22.6800
            37  C1a C    20.2300  -24.8500
            38  C1b C    22.6100  -23.3800
            39  N1c N    23.8000  -22.6800
            40  C1a C    24.9900  -23.3800
            41  C1a C    23.8000  -21.2800
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     3   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   10  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   15  18 2
            20    1  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   19  23 1
            26   22  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   23  27 2
            31   21  28 1
            32   13  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   31  33 1
            37   31  34 1
            38   35  36 1
            39   35  37 1
            40   36  38 1
            41   38  39 1
            42   39  40 1
            43   39  41 1
            44   35  11 1

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