KEGG   DRUG: FosdagrocoratHelp
Entry
D10634                      Drug                                   

Name
Fosdagrocorat (USAN/INN)
Formula
C29H30F3N2O5P
Exact mass
574.1844
Mol weight
574.5279
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory, Antirheumatic
Comment
Treatment of rheumatoid arthritis, inflammatory diseases
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D10634  Fosdagrocorat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1044535-58-1
PubChem: 254741595
ChEMBL: CHEMBL3137316
LinkDB All DBs
KCF data Show

ATOM        40
            1   C1x C    16.9400  -18.7600
            2   C1z C    16.9400  -20.1600
            3   C1x C    18.2000  -20.8600
            4   C1y C    19.3900  -20.1600
            5   C1z C    19.3900  -18.7600
            6   C1x C    18.2000  -18.0600
            7   C1x C    20.5800  -20.8600
            8   C1x C    21.8400  -20.1600
            9   C8y C    21.8400  -18.7600
            10  C8y C    20.5800  -18.0600
            11  C8x C    23.0300  -18.0600
            12  C8y C    23.0300  -16.6600
            13  C8x C    21.8400  -15.9600
            14  C8x C    20.5800  -16.6600
            15  C1b C    19.3900  -17.3600
            16  C8y C    18.2000  -16.6600
            17  C8x C    18.2000  -15.2600
            18  C8x C    16.9400  -14.5600
            19  C8x C    15.7500  -15.2600
            20  C8x C    15.7500  -16.6600
            21  C8x C    16.9400  -17.3600
            22  C1d C    15.5400  -20.1600
            23  X   F    14.2100  -20.1600
            24  O2b O    16.9400  -21.7000
            25  C5a C    24.2200  -15.9600
            26  N1b N    24.2200  -14.5600
            27  C8y C    25.4100  -13.8600
            28  C8y C    26.6700  -14.5600
            29  C1a C    26.6700  -15.9600
            30  O5a O    25.4100  -16.6600
            31  N5x N    27.8600  -13.8600
            32  C8x C    27.8600  -12.5300
            33  C8x C    26.6700  -11.8300
            34  C8x C    25.4100  -12.5300
            35  X   F    15.5400  -18.7600
            36  X   F    15.5400  -21.5600
            37  P1b P    16.9400  -23.1000
            38  O1c O    16.9400  -24.5000
            39  O1c O    18.3400  -23.1000
            40  O1c O    15.5400  -23.1000
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 2
            17    5  15 1 #Down
            18   15  16 1
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   16  21 2
            25    2  22 1
            26   22  23 1
            27    2  24 1 #Down
            28   12  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   25  30 2
            34   28  31 2
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   27  34 2
            39   22  35 1
            40   22  36 1
            41   24  37 1
            42   37  38 1
            43   37  39 2
            44   37  40 1

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