KEGG   DRUG: Prednisone acetate
Entry
D08416                      Drug                                   

Name
Prednisone acetate;
Prednisone 21-acetate
Formula
C23H28O6
Exact mass
400.1886
Mol weight
400.4648
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C14668
ATC code: A07EA03 H02AB07
Chemical structure group: DG00094
Product (DG00094): D00473<US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
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
     A07EA03 Prednisone
      D08416  Prednisone acetate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB07 Prednisone
      D08416  Prednisone acetate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08416  Prednisone acetate
Other DBs
CAS: 125-10-0
PubChem: 96025102
ChEBI: 34655
ChEMBL: CHEMBL1507567
LigandBox: D08416
NIKKAJI: J86.135I
LinkDB
KCF data

ATOM        29
            1   C2x C    18.7600  -20.0200
            2   C5x C    18.7600  -21.3500
            3   C2x C    19.9500  -22.0500
            4   C2y C    21.1400  -21.3500
            5   C1z C    21.1400  -20.0200
            6   C2x C    19.9500  -19.3200
            7   C1x C    22.3300  -22.0500
            8   C1x C    23.5200  -21.3500
            9   C1y C    23.5200  -20.0200
            10  C1y C    22.3300  -19.3200
            11  C1y C    24.7100  -19.3200
            12  C1z C    24.7100  -17.9900
            13  C1x C    23.5200  -17.2900
            14  C5x C    22.3300  -17.9900
            15  C1x C    27.0200  -19.3200
            16  C1x C    27.0200  -17.9900
            17  C1z C    25.8300  -17.2900
            18  C1a C    24.7100  -16.5900
            19  C5a C    25.8300  -15.9600
            20  C1a C    21.1400  -18.6200
            21  C1b C    27.0200  -15.2600
            22  O5x O    17.5700  -22.0500
            23  O7a O    28.2800  -15.9600
            24  O1a O    27.2300  -16.9400
            25  O5a O    24.6400  -15.2600
            26  O5x O    21.0700  -17.2900
            27  C7a C    29.4700  -15.2600
            28  C1a C    30.7300  -15.9600
            29  O6a O    29.4700  -13.8600
BOND        32
            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   12  18 1 #Up
            22   17  19 1 #Up
            23    5  20 1 #Up
            24   19  21 1
            25    2  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   19  25 2
            29   14  26 2
            30   23  27 1
            31   27  28 1
            32   27  29 2

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