KEGG   DRUG: Fluprednisolone valerate
Entry
D04228                      Drug                                   

Name
Fluprednisolone valerate (USAN)
Formula
C26H35FO6
Exact mass
462.2418
Mol weight
462.5509
Structure
Simcomp
Remark
Chemical structure group: DG02888
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [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
    NR3C1 (GR)
     D04228  Fluprednisolone valerate (USAN)
Other DBs
CAS: 23257-44-5
PubChem: 47206174
ChEMBL: CHEMBL2107158
LigandBox: D04228
NIKKAJI: J318.438B
LinkDB
KCF data

ATOM        33
            1   C2x C    16.6657  -19.6629
            2   C5x C    16.6657  -21.0266
            3   C2x C    17.8466  -21.7084
            4   C2y C    19.0275  -21.0266
            5   C1z C    19.0275  -19.6629
            6   C2x C    17.8466  -18.9811
            7   C1y C    20.2085  -21.7084
            8   C1x C    21.3894  -21.0266
            9   C1y C    21.3894  -19.6629
            10  C1y C    20.2085  -18.9811
            11  C1y C    22.5704  -18.9811
            12  C1z C    22.5704  -17.6175
            13  C1x C    21.3894  -16.9357
            14  C1y C    20.2085  -17.6175
            15  C1x C    24.9321  -18.9811
            16  C1x C    24.9321  -17.6175
            17  C1z C    23.7513  -16.9357
            18  C1a C    22.4575  -16.2540
            19  C5a C    23.7565  -15.5722
            20  X   F    20.2176  -23.1025
            21  O5x O    15.4430  -21.7329
            22  C1b C    24.9432  -14.8930
            23  O5a O    22.5311  -14.8578
            24  O1a O    19.0245  -16.9266
            25  O7a O    25.0601  -16.5758
            26  O1a O    26.1377  -15.5891
            27  C1a C    19.0245  -18.2601
            28  C7a C    26.0636  -17.5661
            29  C1b C    27.3905  -17.2011
            30  O6a O    25.7079  -18.9300
            31  C1b C    28.3858  -18.1834
            32  C1b C    29.7629  -17.8041
            33  C1a C    30.7412  -18.7687
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 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    7  20 1 #Down
            24    2  21 2
            25   19  22 1
            26   19  23 2
            27   14  24 1 #Up
            28   17  25 1 #Down
            29   22  26 1
            30    5  27 1 #Up
            31   25  28 1
            32   28  29 1
            33   28  30 2
            34   29  31 1
            35   31  32 1
            36   32  33 1

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