KEGG   DRUG: D10136Help
Entry
D10136                      Drug                                   

Name
Mapracorat (USAN)
Formula
C25H26F4N2O2
Exact mass
462.193
Mol weight
462.4798
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of dermatitis
Target
glucocorticoid receptor agonist [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    glucocorticoid receptor
     Mapracorat
      D10136  Mapracorat (USAN)
BRITE hierarchy
Other DBs
CAS: 
887375-26-0
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8x C    20.0200  -17.6400
            2   C8y C    20.0200  -19.0400
            3   C8y C    21.2324  -19.7400
            4   N5x N    22.4449  -19.0400
            5   C8y C    22.4449  -17.6400
            6   C8x C    21.2324  -16.9400
            7   C8y C    18.8076  -19.7400
            8   C8x C    18.8076  -21.1400
            9   C8x C    20.0200  -21.8400
            10  C8x C    21.2324  -21.1400
            11  C1a C    23.6760  -16.9290
            12  N1b N    17.6121  -19.0496
            13  C1b C    16.4247  -19.7351
            14  C1d C    15.2335  -19.0471
            15  C1b C    14.0440  -19.7338
            16  C1d C    12.8539  -19.0465
            17  C8y C    11.6638  -19.7335
            18  C8x C    10.4740  -19.0463
            19  C8y C     9.2614  -19.7461
            20  C8x C     9.2612  -21.1461
            21  C8y C    10.4511  -21.8333
            22  C8y C    11.6636  -21.1335
            23  C1x C    10.7420  -23.2028
            24  C1x C    12.1343  -23.3493
            25  O2x O    12.7039  -22.0704
            26  X   F     8.0304  -19.0351
            27  C1a C    13.5539  -17.8340
            28  C1a C    12.1539  -17.8340
            29  C1d C    15.2335  -17.6471
            30  X   F    16.4688  -16.9337
            31  X   F    14.0381  -16.9567
            32  X   F    15.2335  -16.2471
            33  O1a O    15.2335  -20.4471
BOND        36
            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     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    3  10 1
            12    5  11 1
            13    7  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   21  23 1
            26   23  24 1
            27   24  25 1
            28   22  25 1
            29   19  26 1
            30   16  27 1
            31   16  28 1
            32   14  29 1
            33   29  30 1
            34   29  31 1
            35   29  32 1
            36   14  33 1 #Up

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