KEGG   DRUG: DichlorisoneHelp
Entry
D07814                      Drug                                   

Name
Dichlorisone (INN)
Formula
C21H26Cl2O4
Exact mass
412.1208
Mol weight
413.3347
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02936
Efficacy
Anti-inflammatory (topical), Glucocorticoid receptor agonist
Comment
Adrenal cortex hormone
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07814  Dichlorisone (INN)
BRITE hierarchy
Other DBs
CAS: 7008-26-6
PubChem: 96024511
LigandBox: D07814
NIKKAJI: J8.880C
LinkDB All DBs
KCF data Show

ATOM        27
            1   C2x C    20.5974  -20.0083
            2   C5x C    20.5974  -21.3760
            3   C2x C    21.7819  -22.0599
            4   C2y C    22.9665  -21.3760
            5   C1z C    22.9665  -20.0083
            6   C2x C    21.7819  -19.3244
            7   C1x C    24.1510  -22.0599
            8   C1x C    25.3355  -21.3760
            9   C1y C    25.3355  -20.0083
            10  C1z C    24.1510  -19.3244
            11  C1y C    26.5201  -19.3244
            12  C1z C    26.5201  -17.9566
            13  C1x C    25.3355  -17.2727
            14  C1y C    24.1510  -17.9566
            15  C1x C    28.8891  -19.3244
            16  C1x C    28.8891  -17.9566
            17  C1z C    27.7046  -17.2727
            18  O5x O    19.4129  -22.0599
            19  C1a C    22.9665  -18.6405
            20  C1a C    26.5201  -16.5888
            21  C5a C    27.7046  -15.9049
            22  C1b C    28.8931  -15.2188
            23  O5a O    26.5240  -15.2233
            24  O1a O    28.8891  -16.5888
            25  X   Cl   22.9685  -17.2739
            26  X   Cl   24.1510  -20.6921
            27  O1a O    28.8931  -13.8510
BOND        30
            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   12  20 1 #Up
            24   17  21 1
            25   21  22 1
            26   21  23 2
            27   17  24 1 #Down
            28   14  25 1 #Up
            29   10  26 1 #Down
            30   22  27 1

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