KEGG   DRUG: D09603Help
Entry
D09603                      Drug                                   

Name
Dilmapimod tosylate (USAN)
Formula
C23H19F3N4O3. C7H8O3S
Exact mass
628.1603
Mol weight
628.6188
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
COPD, rheumatoid arthritis, atherosclerosis, neuropathic pain, acute lung injury (ALI), acute respiratory distress syndrome (ARDS)
Target
p38 MAP kinase inhibitor [HSA:1432 5600 5603 6300] [KO:K04441]
  Pathway
hsa04010  MAPK signaling pathway
hsa04370  VEGF signaling pathway
hsa04380  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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