KEGG   DRUG: Prednisolone sodium metazoate
Entry
D08413                      Drug                                   

Name
Prednisolone sodium metazoate (USAN);
Prednisolone metasulfobenzoate sodium;
Prednisolone 21-(sodium 3-sulfobenzoate);
Predenema (TN)
Formula
C28H31O9S. Na
Exact mass
566.1586
Mol weight
566.5951
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
      D08413  Prednisolone sodium metazoate (USAN)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA04 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA03 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XA Corticosteroids, weak, other combinations
     D07XA02 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB06 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD02 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA04 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB02 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA03 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA02 Prednisolone
      D08413  Prednisolone sodium metazoate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08413  Prednisolone sodium metazoate (USAN)
Other DBs
CAS: 630-67-1
PubChem: 96025099
ChEMBL: CHEMBL2107364
LigandBox: D08413
NIKKAJI: J205.901K
LinkDB
KCF data

ATOM        39
            1   C2x C    18.2000  -20.1600
            2   C5x C    18.2000  -21.5600
            3   C2x C    19.3200  -22.1900
            4   C2y C    20.5100  -21.5600
            5   C1z C    20.5100  -20.1600
            6   C2x C    19.3200  -19.4600
            7   C1x C    21.7000  -22.1900
            8   C1x C    22.9600  -21.5600
            9   C1y C    22.9600  -20.1600
            10  C1y C    21.7000  -19.4600
            11  C1y C    24.1500  -19.4600
            12  C1z C    24.1500  -18.1300
            13  C1x C    22.9600  -17.4300
            14  C1y C    21.7000  -18.1300
            15  C1x C    26.4600  -19.4600
            16  C1x C    26.4600  -18.1300
            17  C1z C    25.3400  -17.4300
            18  O5x O    17.0100  -22.1900
            19  C1a C    20.5100  -18.8300
            20  O1a O    20.5100  -17.4300
            21  C1a C    24.1500  -16.8000
            22  C5a C    25.3400  -15.7500
            23  O1a O    26.4600  -16.8000
            24  C1b C    26.5300  -15.0500
            25  O5a O    24.1500  -15.0500
            26  O7a O    27.6500  -15.7500
            27  C7a C    28.9100  -15.0500
            28  O6a O    28.9100  -13.6500
            29  C8y C    30.1166  -15.7600
            30  C8x C    30.1050  -17.1500
            31  C8y C    31.3116  -17.8601
            32  C8x C    32.5298  -17.1702
            33  C8x C    32.5414  -15.7802
            34  C8x C    31.3348  -15.0701
            35  S4a S    31.3116  -19.2601
            36  O1d O    31.3116  -20.6601 #-
            37  O1d O    32.6900  -19.2599
            38  O1d O    29.8900  -19.2602
            39  Z   Na   28.0700  -22.6800 #+
BOND        42
            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 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   31  35 1
            40   35  36 1
            41   35  37 2
            42   35  38 2

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