KEGG   DRUG: Diflorasone
Entry
D07827                      Drug                                   

Name
Diflorasone (INN);
Murode (TN)
Formula
C22H28F2O5
Exact mass
410.1905
Mol weight
410.4515
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AC10
Chemical structure group: DG00418
Product (DG00418): D01327<JP/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]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC10 Diflorasone
      D07827  Diflorasone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07827  Diflorasone (INN)
Other DBs
CAS: 2557-49-5
PubChem: 96024524
ChEBI: 59750
ChEMBL: CHEMBL1201380
LigandBox: D07827
NIKKAJI: J7.614G
LinkDB
KCF data

ATOM        29
            1   C1z C    26.1100  -16.8700
            2   C1z C    24.9200  -17.5700
            3   C1y C    27.2300  -17.5700
            4   C5a C    26.1100  -15.0500
            5   C1y C    24.9200  -18.9000
            6   C1x C    23.8000  -16.8700
            7   C1a C    24.9200  -16.1700
            8   C1x C    27.2300  -18.9000
            9   C1b C    24.9900  -14.3500
            10  O5a O    27.3000  -14.4200
            11  C1y C    23.8000  -19.5300
            12  C1y C    22.6100  -17.5000
            13  O1a O    23.8000  -15.0500
            14  C1z C    22.6100  -18.8300
            15  C1x C    23.8000  -20.8600
            16  O1a O    21.4900  -16.8700
            17  C1z C    21.4900  -19.5300
            18  X   F    22.6100  -20.1600
            19  C1y C    22.6100  -21.4900
            20  C2y C    21.4900  -20.8600
            21  C2x C    20.3000  -18.8300
            22  C1a C    21.4900  -18.2000
            23  C2x C    20.3000  -21.4900
            24  C2x C    19.1800  -19.5300
            25  C5x C    19.1800  -20.8600
            26  O5x O    17.9900  -21.4900
            27  C1a C    28.6300  -17.5700
            28  X   F    22.6100  -22.8900
            29  O1a O    27.3224  -16.1700
BOND        32
            1     1   4 1 #Up
            2     2   5 1
            3     2   6 1
            4     2   7 1 #Up
            5     3   8 1
            6     4   9 1
            7     4  10 2
            8     5  11 1
            9     6  12 1
            10    9  13 1
            11   11  14 1
            12   11  15 1
            13   12  16 1 #Up
            14   14  17 1
            15   14  18 1 #Down
            16   15  19 1
            17   17  20 1
            18   17  21 1
            19   17  22 1 #Up
            20   20  23 2
            21   21  24 2
            22   23  25 1
            23   25  26 2
            24    5   8 1
            25   12  14 1
            26   19  20 1
            27   24  25 1
            28    3  27 1 #Up
            29    1   2 1
            30    1   3 1
            31   19  28 1 #Down
            32    1  29 1 #Down

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