KEGG   DRUG: DilmapimodHelp
Entry
D09602                      Drug                                   

Name
Dilmapimod (USAN/INN)
Formula
C23H19F3N4O3
Exact mass
456.1409
Mol weight
456.4172
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 [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
      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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