KEGG   DRUG: Gumarontinib hydrate
Entry
D12705                      Drug                                   
Name
Gumarontinib hydrate (JAN);
Haiyitan (TN)
Formula
C21H17N9O2S. H2O
Exact mass
477.1332
Mol weight
477.50
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Therapeutic category: 4291
Product: D12705<JP>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
MET* [HSA_VAR:4233v4] [HSA:4233] [KO:K05099]
  Pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
hsa05202  Transcriptional misregulation in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12705  Gumarontinib hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    D12705  Gumarontinib hydrate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   MET family
    MET* [HSA_VAR:4233v4]
     D12705  Gumarontinib hydrate (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12705
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12705
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12705
Other DBs
PubChem: 497621118
LinkDB
KCF data

ATOM        34
            1   N5x N    17.8781  -11.1586
            2   C8y C    18.1673   -9.7967
            3   N4y N    16.9615   -9.1008
            4   C8x C    10.3600   -6.5800
            5   C8y C    10.3600   -7.9800
            6   C8x C    11.5724   -8.6800
            7   C8y C    12.7849   -7.9800
            8   C8y C    12.7849   -6.5800
            9   N5x N    11.5724   -5.8800
            10  N4y N    14.1164   -8.4126
            11  N5x N    14.9393   -7.2800
            12  C8x C    14.1164   -6.1474
            13  S4a S    14.5475   -9.7394
            14  C8y C    15.9269  -10.0326
            15  C8x C    16.4934  -11.3044
            16  C8y C     9.1476   -8.6800
            17  C8x C     7.8874   -8.1188
            18  N4y N     6.9643   -9.1439
            19  N5x N     7.6539  -10.3386
            20  C8x C     9.0032  -10.0519
            21  C1a C     5.5412   -8.9935
            22  C8x C    19.3797   -9.0965
            23  C8x C    19.3794   -7.6965
            24  C8y C    18.1736   -7.0006
            25  C8x C    16.9612   -7.7008
            26  C8y C    18.1733   -5.6003
            27  C8x C    19.3232   -4.7642
            28  N4y N    18.8834   -3.4123
            29  N5x N    17.4617   -3.4128
            30  C8x C    17.0229   -4.7650
            31  C1a C    19.7032   -2.2833
            32  O3c O    13.1952  -10.1017
            33  O3c O    14.5475  -11.1394
            34  O0  O    22.4700  -10.6400
BOND        38
            1     1   2 2
            2     2   3 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     4   9 1
            9     7  10 1
            10   10  11 1
            11   11  12 2
            12    8  12 1
            13   10  13 1
            14   13  14 1
            15   14  15 2
            16    5  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   16  20 1
            22   18  21 1
            23    1  15 1
            24    3  14 1
            25    2  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29    3  25 1
            30   24  26 1
            31   26  27 2
            32   27  28 1
            33   28  29 1
            34   29  30 2
            35   26  30 1
            36   28  31 1
            37   13  32 2
            38   13  33 2

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