KEGG   DRUG: Merestinib
Entry
D11763                      Drug                                   
Name
Merestinib (USAN/INN)
Formula
C30H22F2N6O3
Exact mass
552.1721
Mol weight
552.5309
Structure
Efficacy
Antineoplastic
Target
MET [HSA:4233] [KO:K05099]
AXL [HSA:558] [KO:K05115]
RON [HSA:4486] [KO:K05100]
MKNK [HSA:8569 2872] [KO:K04372]
  Pathway
hsa04010  MAPK signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CAMK group
    MKNK
     D11763  Merestinib (USAN/INN)
  Receptor tyrosine kinases (RTK)
   MET family
    MET
     D11763  Merestinib (USAN/INN)
    RON
     D11763  Merestinib (USAN/INN)
   AXL family
    AXL
     D11763  Merestinib (USAN/INN)
Other DBs
CAS: 1206799-15-6
PubChem: 405226629
PDB-CCD: L1X[PDBj]
LinkDB
KCF data

ATOM        41
            1   C8y C     7.0700  -14.0700
            2   C8x C     7.0700  -15.4700
            3   C8x C     8.2824  -16.1700
            4   C8y C     9.4949  -15.4700
            5   C8x C     9.4949  -14.0700
            6   C8x C     8.2824  -13.3700
            7   X   F     5.8576  -13.3700
            8   N4y N    10.7260  -16.1810
            9   C8y C    10.7257  -17.5699
            10  C8x C    11.9380  -18.2702
            11  C8x C    13.1506  -17.5705
            12  C8y C    13.1509  -16.1816
            13  C8y C    11.9386  -15.4813
            14  O5x O    11.9387  -14.0704
            15  C5a C    14.3753  -15.4751
            16  N1b N    15.5663  -16.1633
            17  O5a O    14.3759  -14.0702
            18  C8y C    16.7563  -15.4767
            19  C8x C    17.9458  -16.1641
            20  C8x C    19.1585  -15.4645
            21  C8y C    19.1591  -14.0645
            22  C8y C    17.9695  -13.3771
            23  C8x C    16.7568  -14.0767
            24  X   F    17.9699  -11.9701
            25  O2a O    20.3849  -13.3572
            26  C8y C    21.5914  -14.0542
            27  C8x C    21.5913  -15.4696
            28  C8y C    22.8037  -16.1697
            29  C8y C    24.0162  -15.4698
            30  C8x C    24.0163  -14.0544
            31  C8y C    22.8039  -13.3543
            32  C8y C    22.8042  -11.9701
            33  C8x C    23.0947  -17.5391
            34  N5x N    24.4870  -17.6856
            35  N4y N    25.0565  -16.4067
            36  C1a C    26.4345  -16.1141
            37  C8x C    23.9473  -11.1398
            38  N5x N    23.5109   -9.7961
            39  N4x N    22.0981   -9.7959
            40  C8x C    21.6613  -11.1395
            41  C1a C     9.5013  -18.2765
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     1   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 1
            15   13  14 2
            16   12  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   22  24 1
            27   21  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   31  32 1
            36   28  33 1
            37   33  34 2
            38   34  35 1
            39   29  35 1
            40   35  36 1
            41   32  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 1
            45   32  40 2
            46    9  41 1

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