KEGG   DRUG: Fluocortolone 21-pivalate
Entry
D07973                      Drug                                   

Name
Fluocortolone 21-pivalate;
Fluocortolone pivalate;
Ultradil (TN)
Formula
C27H37FO5
Exact mass
460.2625
Mol weight
460.5781
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
      D07973  Fluocortolone 21-pivalate
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC05 Fluocortolone
      D07973  Fluocortolone 21-pivalate
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XC Corticosteroids, potent, other combinations
     D07XC05 Fluocortolone
      D07973  Fluocortolone 21-pivalate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB03 Fluocortolone
      D07973  Fluocortolone 21-pivalate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07973  Fluocortolone 21-pivalate
Other DBs
CAS: 29205-06-9
PubChem: 96024668
LigandBox: D07973
NIKKAJI: J250.794C
LinkDB
KCF data

ATOM        33
            1   C2x C    19.9500  -18.6200
            2   C5x C    19.9500  -19.9500
            3   C2x C    21.1400  -20.6500
            4   C2y C    22.3300  -19.9500
            5   C1z C    22.3300  -18.6200
            6   C2x C    21.1400  -17.9200
            7   C1y C    23.5900  -20.6500
            8   C1x C    24.7100  -19.9500
            9   C1y C    24.7100  -18.6200
            10  C1y C    23.5900  -17.9200
            11  C1y C    25.9000  -17.9200
            12  C1z C    25.9000  -16.5900
            13  C1x C    24.7100  -15.8900
            14  C1y C    23.5900  -16.5900
            15  O5x O    18.8300  -20.6500
            16  C1a C    22.3300  -17.2900
            17  O1a O    22.3300  -15.8900
            18  C1a C    25.9000  -15.1900
            19  X   F    23.5900  -22.0500
            20  C1x C    28.2800  -17.9200
            21  C1y C    28.2800  -16.5900
            22  C1y C    27.0900  -15.8900
            23  C1a C    29.4700  -15.8900
            24  C5a C    27.0900  -14.4900
            25  O5a O    25.9000  -13.7900
            26  C1b C    28.2800  -13.7900
            27  O7a O    29.4700  -14.4200
            28  C7a C    30.6559  -13.6760
            29  C1d C    31.8855  -14.3268
            30  O6a O    30.6034  -12.2511
            31  C1a C    33.0980  -15.0268
            32  C1a C    32.5612  -13.1054
            33  C1a C    31.2064  -15.5545
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    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   29  32 1
            36   29  33 1

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