KEGG   DRUG: Prednisolone pivalate
Entry
D08412                      Drug                                   

Name
Prednisolone pivalate;
Prednisolone 21-pivalate;
Ultracortenol (TN)
Formula
C26H36O6
Exact mass
444.2512
Mol weight
444.5604
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: A07EA01 C05AA04 D07AA03 D07XA02 H02AB06 R01AD02 S01BA04 S01CB02 S02BA03 S03BA02
Chemical structure group: DG00093
Product (DG00093): D00472<JP/US> D00980<JP/US> D00981<JP/US> D01239<JP> D03301<JP>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EA Corticosteroids acting locally
     A07EA01 Prednisolone
      D08412  Prednisolone pivalate
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA04 Prednisolone
      D08412  Prednisolone pivalate
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA03 Prednisolone
      D08412  Prednisolone pivalate
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XA Corticosteroids, weak, other combinations
     D07XA02 Prednisolone
      D08412  Prednisolone pivalate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB06 Prednisolone
      D08412  Prednisolone pivalate
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD02 Prednisolone
      D08412  Prednisolone pivalate
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA04 Prednisolone
      D08412  Prednisolone pivalate
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB02 Prednisolone
      D08412  Prednisolone pivalate
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA03 Prednisolone
      D08412  Prednisolone pivalate
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA02 Prednisolone
      D08412  Prednisolone pivalate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08412  Prednisolone pivalate
Other DBs
CAS: 1107-99-9
PubChem: 96025098
LigandBox: D08412
NIKKAJI: J127.983A
LinkDB
KCF data

ATOM        32
            1   C2x C    18.2278  -20.1917
            2   C5x C    18.2278  -21.5939
            3   C2x C    19.3495  -22.2249
            4   C2y C    20.5414  -21.5939
            5   C1z C    20.5414  -20.1917
            6   C2x C    19.3495  -19.4906
            7   C1x C    21.7333  -22.2249
            8   C1x C    22.9252  -21.5939
            9   C1y C    22.9252  -20.1917
            10  C1y C    21.7333  -19.4906
            11  C1y C    24.1170  -19.4906
            12  C1z C    24.1170  -18.1585
            13  C1x C    22.9252  -17.4574
            14  C1y C    21.7333  -18.1585
            15  C1x C    26.4307  -19.4906
            16  C1x C    26.4307  -18.1585
            17  C1z C    25.3089  -17.4574
            18  O5x O    17.0359  -22.2249
            19  C1a C    20.5414  -18.8596
            20  O1a O    20.5414  -17.4574
            21  C1a C    24.1170  -16.8264
            22  C5a C    25.3089  -15.7748
            23  O1a O    26.4307  -16.8264
            24  C1b C    26.5008  -15.0737
            25  O5a O    24.1170  -15.0737
            26  O7a O    27.6225  -15.7748
            27  C7a C    28.8845  -15.0737
            28  C1d C    30.0764  -15.7748
            29  O6a O    28.8845  -13.6715
            30  C1a C    31.2907  -16.4759
            31  C1a C    29.3704  -16.9863
            32  C1a C    30.7824  -14.5633
BOND        35
            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    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26   17  23 1 #Down
            27   22  24 1
            28   22  25 2
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   28  31 1
            35   28  32 1

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