KEGG   DRUG: Prednylidene
Entry
D07230                      Drug                                   

Name
Prednylidene (INN)
Formula
C22H28O5
Exact mass
372.1937
Mol weight
372.4547
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: H02AB11
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]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB11 Prednylidene
      D07230  Prednylidene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07230  Prednylidene (INN)
Other DBs
CAS: 599-33-7
PubChem: 51091568
ChEMBL: CHEMBL2105359
LigandBox: D07230
NIKKAJI: J6.795D
LinkDB
KCF data

ATOM        27
            1   C1z C    28.6300  -17.8500
            2   C1y C    28.6300  -19.2500
            3   C1x C    31.0100  -19.2500
            4   C2y C    31.0100  -17.8500
            5   C1z C    29.8200  -17.1500
            6   C1x C    27.4400  -17.1500
            7   C1y C    26.2500  -17.8500
            8   C1y C    26.2500  -19.2500
            9   C1y C    27.4400  -19.9500
            10  C1z C    25.0600  -19.9500
            11  C2y C    25.0600  -21.2800
            12  C1x C    26.2500  -21.9800
            13  C1x C    27.4400  -21.2800
            14  C2x C    23.8700  -19.2500
            15  C2x C    22.6800  -19.9500
            16  C5x C    22.6800  -21.2800
            17  C2x C    23.8700  -21.9800
            18  C5a C    29.8200  -15.8200
            19  C1b C    30.7300  -14.8400
            20  O1a O    32.0600  -15.1900
            21  O1a O    31.0100  -16.5200
            22  C1a C    28.6300  -16.5200
            23  O1a O    25.0600  -17.1500
            24  C1a C    25.0600  -18.5500
            25  O5x O    21.4900  -21.9800
            26  O5a O    28.4900  -15.2600
            27  C2a C    32.3114  -17.3338
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   9 1
            16   10  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 1
            20   17  11 2
            21    5  18 1 #Up
            22   18  19 1
            23   19  20 1
            24    5  21 1 #Down
            25    1  22 1 #Up
            26    7  23 1 #Up
            27   10  24 1 #Up
            28   16  25 2
            29   18  26 2
            30    4  27 2

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