KEGG   DRUG: Zeteletinib
Entry
D12330                      Drug                                   
Name
Zeteletinib (USAN)
Formula
C25H23F3N4O4
Exact mass
500.1671
Mol weight
500.47
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Remark
Chemical structure group: DG03221
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Comment
Treatment of cancer
Target
RET [HSA:5979] [KO:K05126]
  Pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03221  Zeteletinib
    D12330  Zeteletinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   RET family
    RET
     D12330  Zeteletinib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03221  Zeteletinib
Other DBs
CAS: 2216753-97-6
PubChem: 497620743
LinkDB
KCF data

ATOM        36
            1   C8y C     7.3500  -16.8700
            2   C8y C     7.3500  -18.2700
            3   C8x C     8.5624  -18.9700
            4   C8y C     9.7749  -18.2700
            5   C8y C     9.7749  -16.8700
            6   C8x C     8.5624  -16.1700
            7   C8x C    10.9873  -18.9700
            8   C8y C    12.1997  -18.2700
            9   C8x C    12.1997  -16.8700
            10  N5x N    10.9873  -16.1700
            11  O2a O     6.1376  -16.1700
            12  C1a C     4.9421  -16.8604
            13  O2a O     6.1376  -18.9700
            14  C1a C     4.9421  -18.2796
            15  C8y C    13.3973  -18.9615
            16  C8x C    13.3973  -20.3697
            17  C8x C    14.6098  -21.0697
            18  C8y C    15.8222  -20.3697
            19  C8x C    15.8222  -18.9615
            20  N5x N    14.6097  -18.2615
            21  C1b C    17.0331  -21.0688
            22  C5a C    18.2276  -20.3790
            23  N1b N    19.4155  -21.0647
            24  O5a O    18.2276  -18.9703
            25  C8y C    20.6071  -20.3733
            26  C8x C    21.9250  -20.7586
            27  C8y C    22.6987  -19.6243
            28  N5x N    21.8590  -18.5379
            29  O2x O    20.5663  -19.0008
            30  C1d C    24.0648  -19.5830
            31  C1d C    25.4648  -19.5830
            32  C1a C    24.1141  -18.2005
            33  C1a C    24.0860  -21.0000
            34  X   F    26.8648  -19.5830
            35  X   F    25.4648  -18.1830
            36  X   F    25.4648  -20.9830
BOND        39
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14    2  13 1
            15   13  14 1
            16    8  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   25  29 1
            33   27  30 1
            34   30  31 1
            35   30  32 1
            36   30  33 1
            37   31  34 1
            38   31  35 1
            39   31  36 1

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