KEGG   DRUG: Dichlorisone acetate
Entry
D07815                      Drug                                   

Name
Dichlorisone acetate;
Dichlorisone 21-acetate;
Dermaren (TN)
Formula
C23H28Cl2O5
Exact mass
454.1314
Mol weight
455.3714
Structure
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)
     D07815  Dichlorisone acetate
Other DBs
CAS: 79-61-8
PubChem: 96024512
ChEMBL: CHEMBL109417 CHEMBL1385514 CHEMBL4303170
LigandBox: D07815
NIKKAJI: J4.236F
LinkDB
KCF data

ATOM        30
            1   C2x C    21.5600  -21.4200
            2   C5x C    21.5600  -22.7500
            3   C2x C    22.7500  -23.4500
            4   C2y C    23.9400  -22.7500
            5   C1z C    23.9400  -21.4200
            6   C2x C    22.7500  -20.7200
            7   C1x C    25.1300  -23.4500
            8   C1x C    26.3200  -22.7500
            9   C1y C    26.3200  -21.4200
            10  C1z C    25.1300  -20.7200
            11  C1y C    27.5100  -20.7200
            12  C1z C    27.5100  -19.3900
            13  C1x C    26.3200  -18.6900
            14  C1y C    25.1300  -19.3900
            15  C1x C    29.8900  -20.7200
            16  C1x C    29.8900  -19.3900
            17  C1z C    28.7000  -18.6900
            18  O5x O    20.3700  -23.4500
            19  C1a C    23.9400  -20.0200
            20  C1a C    27.5100  -17.9900
            21  C5a C    28.7000  -17.2900
            22  C1b C    29.8900  -16.5900
            23  O5a O    27.5100  -16.5900
            24  O1a O    30.0300  -18.2700
            25  X   Cl   23.9400  -18.6900
            26  X   Cl   25.1300  -22.1200
            27  O7a O    31.1081  -17.2801
            28  C7a C    32.2895  -16.5850
            29  C1a C    33.4949  -17.2680
            30  O6a O    32.2781  -15.1900
BOND        33
            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
            31   27  28 1
            32   28  29 1
            33   28  30 2

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