KEGG   DRUG: Prednisolone 21-(sodium tetrahydrophthalate)
Entry
D08414                      Drug                                   

Name
Prednisolone 21-(sodium tetrahydrophthalate);
Prednisolone sodium tetrahydrophthalate;
Fenicort (TN)
Formula
C29H35O8. Na
Exact mass
534.223
Mol weight
534.5732
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
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA04 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA03 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XA Corticosteroids, weak, other combinations
     D07XA02 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB06 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD02 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA04 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB02 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA03 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA02 Prednisolone
      D08414  Prednisolone 21-(sodium tetrahydrophthalate)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08414  Prednisolone 21-(sodium tetrahydrophthalate)
Other DBs
CAS: 10059-14-0
PubChem: 96025100
LigandBox: D08414
LinkDB
KCF data

ATOM        38
            1   C2x C    12.0369  -18.2057
            2   C5x C    12.0369  -19.6110
            3   C2x C    13.1612  -20.2431
            4   C2y C    14.3557  -19.6110
            5   C1z C    14.3557  -18.2057
            6   C2x C    13.1612  -17.5031
            7   C1x C    15.5502  -20.2431
            8   C1x C    16.7447  -19.6110
            9   C1y C    16.7447  -18.2057
            10  C1y C    15.5502  -17.5031
            11  C1y C    17.9393  -17.5031
            12  C1z C    17.9393  -16.1680
            13  C1x C    16.7447  -15.4653
            14  C1y C    15.5502  -16.1680
            15  C1x C    20.2580  -17.5031
            16  C1x C    20.2580  -16.1680
            17  C1z C    19.1338  -15.4653
            18  O5x O    10.8424  -20.1731
            19  C1a C    14.3557  -16.8707
            20  O1a O    14.3557  -15.4653
            21  C1a C    17.9393  -14.8330
            22  C5a C    19.1338  -13.7790
            23  O1a O    20.2580  -14.8330
            24  C1b C    20.3283  -13.0763
            25  O5a O    17.9393  -13.0763
            26  O7a O    21.4525  -13.7790
            27  C7a C    22.7173  -13.0763
            28  O6a O    22.7173  -11.6710
            29  C1y C    23.9121  -13.7790
            30  C1y C    23.9118  -15.1843
            31  C1x C    25.1766  -15.8869
            32  C2x C    26.3711  -15.1843
            33  C2x C    26.3711  -13.7790
            34  C1x C    25.1766  -13.0763
            35  C6a C    22.7173  -15.8869
            36  O6a O    21.5228  -15.1843
            37  O6a O    22.7171  -17.2923 #-
            38  Z   Na   21.8741  -20.6650 #+
BOND        41
            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 2
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 2
            37   33  34 1
            38   29  34 1
            39   30  35 1
            40   35  36 2
            41   35  37 1

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