KEGG   DRUG: Fluprednidene
Entry
D07201                      Drug                                   

Name
Fluprednidene (INN)
Formula
C22H27FO5
Exact mass
390.1843
Mol weight
390.4452
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AB07 D07XB03
Chemical structure group: DG00414
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB07 Fluprednidene
      D07201  Fluprednidene (INN)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB03 Fluprednidene
      D07201  Fluprednidene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07201  Fluprednidene (INN)
Other DBs
CAS: 2193-87-5
PubChem: 51091539
ChEMBL: CHEMBL2106763
LigandBox: D07201
NIKKAJI: J7.355E
LinkDB
KCF data

ATOM        28
            1   C1z C    28.2100  -17.6400
            2   C1y C    28.2100  -19.0400
            3   C1x C    30.6349  -19.0400
            4   C2y C    30.6356  -17.6340
            5   C1z C    29.4224  -16.9400
            6   C1x C    26.9976  -16.9400
            7   C1y C    25.7851  -17.6400
            8   C1z C    25.7851  -19.0400
            9   C1y C    26.9976  -19.7400
            10  C1z C    24.5727  -19.7400
            11  C2y C    24.5727  -21.1400
            12  C1x C    25.7851  -21.8400
            13  C1x C    26.9976  -21.1400
            14  C2x C    23.3603  -19.0400
            15  C2x C    22.1478  -19.7400
            16  C5x C    22.1478  -21.1400
            17  C2x C    23.3603  -21.8400
            18  C2a C    32.0003  -17.2357
            19  C5a C    29.4224  -15.5402
            20  C1b C    30.4123  -14.5503
            21  O1a O    31.7367  -14.9055
            22  O1a O    30.6348  -16.2400
            23  C1a C    28.2100  -16.2400
            24  O1a O    24.5540  -16.9290
            25  C1a C    24.5727  -18.3400
            26  X   F    25.7851  -20.4400
            27  O5x O    20.9147  -21.8522
            28  O5a O    28.1099  -14.9964
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1
            16   10  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 1
            20   17  11 2
            21    4  18 2
            22    5  19 1 #Up
            23   19  20 1
            24   20  21 1
            25    5  22 1 #Down
            26    1  23 1 #Up
            27    7  24 1 #Up
            28   10  25 1 #Up
            29    8  26 1 #Down
            30   16  27 2
            31   19  28 2

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