KEGG   DRUG: D09602Help
Entry
D09602                      Drug                                   

Name
Dilmapimod (USAN/INN)
Formula
C23H19F3N4O3
Exact mass
456.1409
Mol weight
456.4172
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
      D09602  Dilmapimod (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
444606-18-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   N4y N    15.5400  -27.2300
            2   C8y C    15.5400  -28.6300
            3   C8x C    16.7524  -29.3300
            4   C8x C    17.9649  -28.6300
            5   C8y C    17.9649  -27.2300
            6   C8y C    16.7524  -26.5300
            7   C8y C    19.1773  -26.5300
            8   N5x N    19.1773  -25.1300
            9   C8y C    17.9649  -24.4300
            10  N5x N    16.7524  -25.1300
            11  C8y C    14.3276  -26.5300
            12  O5x O    14.3276  -29.3300
            13  C8y C    20.3918  -27.2312
            14  N1b N    17.9649  -23.0302
            15  C1c C    19.1961  -22.3192
            16  C1b C    20.4011  -23.0148
            17  C1b C    19.1958  -20.9301
            18  O1a O    20.3963  -20.2367
            19  O1a O    21.5835  -22.3319
            20  C8y C    20.3917  -28.6298
            21  C8x C    21.6042  -29.3299
            22  C8y C    22.8166  -28.6299
            23  C8x C    22.8166  -27.2312
            24  C8x C    21.6042  -26.5312
            25  C1a C    19.1630  -29.3394
            26  X   F    24.0316  -29.3314
            27  C8y C    14.3276  -25.1302
            28  C8x C    13.1151  -24.4302
            29  C8x C    11.9027  -25.1302
            30  C8x C    11.9027  -26.5300
            31  C8y C    13.1151  -27.2300
            32  X   F    13.1151  -28.6298
            33  X   F    15.5568  -24.4203
BOND        36
            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

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