KEGG   DRUG: Fluocortolone caproate
Entry
D04219                      Drug                                   

Name
Fluocortolone caproate (USAN)
Formula
C28H39FO5
Exact mass
474.2782
Mol weight
474.6047
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: C05AA08 D07AC05 D07XC05 H02AB03
Chemical structure group: DG00295
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Comment
Prednisolone [DR:D00427] derivative
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA08 Fluocortolone
      D04219  Fluocortolone caproate (USAN)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC05 Fluocortolone
      D04219  Fluocortolone caproate (USAN)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XC Corticosteroids, potent, other combinations
     D07XC05 Fluocortolone
      D04219  Fluocortolone caproate (USAN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB03 Fluocortolone
      D04219  Fluocortolone caproate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D04219  Fluocortolone caproate (USAN)
Other DBs
CAS: 303-40-2
PubChem: 47206165
ChEMBL: CHEMBL2107415
LigandBox: D04219
NIKKAJI: J5.488G
LinkDB
KCF data

ATOM        34
            1   C2x C     6.7900  -20.3000
            2   C5x C     6.7900  -21.7000
            3   C2x C     7.9800  -22.4000
            4   C2y C     9.1700  -21.7000
            5   C1z C     9.1700  -20.3000
            6   C2x C     7.9800  -19.6700
            7   C1y C    10.3600  -22.4000
            8   C1x C    11.6200  -21.7000
            9   C1y C    11.6200  -20.3000
            10  C1y C    10.3600  -19.6700
            11  C1y C    12.8100  -19.6700
            12  C1z C    12.8100  -18.2700
            13  C1x C    11.6200  -17.5700
            14  C1y C    10.3600  -18.2700
            15  O5x O     5.6000  -22.4000
            16  C1a C     9.1700  -18.9700
            17  O1a O     9.1700  -17.5700
            18  C1a C    12.8100  -16.8700
            19  X   F    10.3600  -23.8000
            20  C1x C    15.2349  -19.6700
            21  C1y C    15.2349  -18.2700
            22  C1y C    14.0224  -17.5700
            23  C1a C    16.4660  -17.5590
            24  C5a C    14.0224  -16.1702
            25  O5a O    12.7932  -15.4603
            26  C1b C    15.2180  -15.4798
            27  O7a O    16.4052  -16.1652
            28  C7a C    17.5966  -15.4772
            29  C1b C    18.7859  -16.1639
            30  O6a O    17.5967  -14.0703
            31  C1b C    19.9762  -15.4766
            32  C1b C    21.1661  -16.1636
            33  C1b C    22.3561  -15.4764
            34  C1a C    23.5462  -16.1635
BOND        37
            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    2  15 2
            18    5  16 1 #Up
            19   14  17 1 #Up
            20   12  18 1 #Up
            21    7  19 1 #Down
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   21  23 1 #Down
            27   22  24 1 #Up
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 2
            34   29  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1

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