KEGG   DRUG: RalimetinibHelp
Entry
D10658                      Drug                                   

Name
Ralimetinib (USAN/INN)
Formula
C24H29FN6
Exact mass
420.2438
Mol weight
420.5257
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01847
Efficacy
Antineoplastic, Mitogen-activated protein kinase inhibitor
Target
P38 [HSA:1432 5600 5603 6300] [KO:K04441]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   MAPK family
    P38
     D10658  Ralimetinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 862505-00-8
PubChem: 254741619
ChEMBL: CHEMBL2364626
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    18.2769  -13.3761
            2   C8y C    18.2769  -14.7769
            3   N5x N    19.4900  -15.4773
            4   C8y C    20.7032  -14.7769
            5   C8y C    20.7032  -13.3761
            6   C8x C    19.4900  -12.6757
            7   N4y N    22.0354  -15.2097
            8   C8y C    22.8588  -14.0765
            9   N5x N    22.0354  -12.9433
            10  C8y C    17.0638  -15.4773
            11  C8y C    17.0638  -16.8781
            12  N4x N    15.7315  -15.0444
            13  C8y C    14.9082  -16.1777
            14  N5x N    15.7315  -17.3109
            15  C8y C    18.2769  -17.5785
            16  C8x C    18.2769  -18.9793
            17  C8x C    19.4900  -19.6797
            18  C8y C    20.7032  -18.9793
            19  C8x C    20.7032  -17.5785
            20  C8x C    19.4900  -16.8781
            21  X   F    21.9163  -19.6797
            22  C1d C    13.5074  -16.1777
            23  C1a C    13.5074  -14.7769
            24  C1a C    13.5074  -17.5785
            25  C1a C    12.1066  -16.1777
            26  N1a N    24.2596  -14.0765
            27  C1b C    22.3979  -16.5628
            28  C1d C    23.7510  -16.9254
            29  C1a C    23.3185  -18.3485
            30  C1a C    24.1136  -15.5724
            31  C1a C    25.1041  -17.2880
BOND        34
            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 1
            9     8   9 2
            10    5   9 1
            11    2  10 1
            12   10  11 2
            13   10  12 1
            14   12  13 1
            15   13  14 2
            16   11  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   15  20 1
            24   18  21 1
            25   13  22 1
            26   22  23 1
            27   22  24 1
            28   22  25 1
            29    8  26 1
            30    7  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 1
            34   28  31 1

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