KEGG   DRUG: Dilmapimod tosylateHelp
Entry
D09603                      Drug                                   

Name
Dilmapimod tosylate (USAN)
Formula
C23H19F3N4O3. C7H8O3S
Exact mass
628.1603
Mol weight
628.6188
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Chemical group: 
Activity
COPD, rheumatoid arthritis, atherosclerosis, neuropathic pain, acute lung injury (ALI), acute respiratory distress syndrome (ARDS)
Target
p38 MAP kinase [HSA:1432 5600 5603 6300] [KO:K04441]
  Pathway
MAPK signaling pathway
VEGF signaling pathway
Osteoclast differentiation
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: CMGC group
   MAPK family
    p38 MAP kinase
     Dilmapimod
      D09603  Dilmapimod tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
937169-00-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        44
            1   N4y N    21.2800  -28.3500
            2   C8y C    21.2800  -29.7500
            3   C8x C    22.4700  -30.4500
            4   C8x C    23.7300  -29.7500
            5   C8y C    23.7300  -28.3500
            6   C8y C    22.4700  -27.6500
            7   C8y C    24.9200  -27.6500
            8   N5x N    24.9200  -26.2500
            9   C8y C    23.7300  -25.5500
            10  N5x N    22.4700  -26.2500
            11  C8y C    20.0900  -27.6500
            12  O5x O    20.0900  -30.4500
            13  C8y C    26.1100  -28.3500
            14  N1b N    23.7300  -24.1500
            15  C1c C    24.9200  -23.4500
            16  C1b C    26.1100  -24.1500
            17  C1b C    24.9200  -22.0500
            18  O1a O    26.1100  -21.3500
            19  O1a O    27.3000  -23.4500
            20  C8y C    26.1100  -29.7500
            21  C8x C    27.3700  -30.4500
            22  C8y C    28.5600  -29.7500
            23  C8x C    28.5600  -28.3500
            24  C8x C    27.3700  -27.6500
            25  C1a C    24.9200  -30.4500
            26  X   F    29.7500  -30.4500
            27  C8y C    20.0900  -26.2500
            28  C8x C    18.8300  -25.5500
            29  C8x C    17.6400  -26.2500
            30  C8x C    17.6400  -27.6500
            31  C8y C    18.8300  -28.3500
            32  X   F    18.8300  -29.7500
            33  X   F    21.2800  -25.5500
            34  C8x C    30.2400  -25.6200
            35  C8x C    30.2400  -27.0200
            36  C8y C    31.4524  -27.7200
            37  C8x C    32.6649  -27.0200
            38  C8x C    32.6649  -25.6200
            39  C8y C    31.4524  -24.9200
            40  S4a S    31.4524  -23.5202
            41  O1d O    32.8524  -23.5202
            42  O1d O    30.0524  -23.5202
            43  O1d O    31.4524  -22.1202
            44  C1a C    31.4524  -29.1198
BOND        47
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    1  11 1
            13    2  12 2
            14    7  13 1
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   17  18 1
            20   16  19 1
            21   13  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   13  24 1
            27   20  25 1
            28   22  26 1
            29   11  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   11  31 2
            35   31  32 1
            36   27  33 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40   37  38 1
            41   38  39 2
            42   34  39 1
            43   39  40 1
            44   40  41 2
            45   40  42 2
            46   40  43 1
            47   36  44 1

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