KEGG   DRUG: Enbezotinib
Entry
D12559                      Drug                                   
Name
Enbezotinib (USAN/INN)
Formula
C21H21FN6O3
Exact mass
424.1659
Mol weight
424.43
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
RET [HSA:5979] [KO:K05126]
  Pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   D12559  Enbezotinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   RET family
    RET
     D12559  Enbezotinib (USAN/INN)
Other DBs
CAS: 2359649-81-1
PubChem: 497620972
LinkDB
KCF data

ATOM        31
            1   C8y C    20.7900  -13.9300
            2   N4y N    20.7900  -12.5300
            3   C8x C    19.5300  -11.8300
            4   C8y C    18.2700  -12.5300
            5   C8y C    18.2700  -13.9300
            6   N5x N    19.5300  -14.6300
            7   N1x N    20.7900  -16.6600
            8   C5x C    21.9800  -16.0300
            9   C8y C    21.9800  -14.6300
            10  N1y N    17.0800  -14.6300
            11  C1x C    17.0800  -16.0300
            12  C1x C    20.7900  -18.0600
            13  O2x O    18.2700  -18.0600
            14  C1y C    19.5300  -18.7600
            15  C8y C    16.8700  -18.0600
            16  C8y C    16.5200  -16.7300
            17  C8x C    22.9600  -13.3000
            18  N5x N    21.9800  -11.9700
            19  C8x C    15.2600  -16.4500
            20  C8y C    14.2100  -17.3600
            21  C8x C    14.6300  -18.6900
            22  N5x N    15.9600  -19.0400
            23  X   F    12.8800  -16.9400
            24  O5x O    23.1700  -16.6600
            25  C1a C    19.5300  -20.1600
            26  C1y C    15.8200  -12.5300
            27  C1y C    15.8200  -13.9300
            28  O2x O    17.0100  -11.8300
            29  C1x C    14.4885  -12.0974
            30  C1x C    13.6656  -13.2300
            31  C1x C    14.4885  -14.3626
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     1   9 2
            10    5  10 1
            11   10  11 1
            12   12   7 1
            13   13  14 1
            14   12  14 1
            15   13  15 1
            16   15  16 1
            17   16  11 1
            18    9  17 1
            19   17  18 2
            20   18   2 1
            21   16  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   15  22 2
            26   20  23 1
            27    8  24 2
            28   14  25 1 #Down
            29   26  27 1
            30   27  10 1
            31    4  28 1
            32   26  28 1
            33   26  29 1
            34   29  30 1
            35   30  31 1
            36   27  31 1

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