KEGG   DRUG: ResocortolHelp
Entry
D08476                      Drug                                   

Name
Resocortol (INN)
Formula
C22H32O4
Exact mass
360.2301
Mol weight
360.4871
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Chemical structure group: DG01545
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08476  Resocortol (INN)
BRITE hierarchy
Other DBs
CAS: 76675-97-3
PubChem: 96025162
LigandBox: D08476
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1z C    24.0100  -17.2200
            2   C1y C    24.0100  -18.6200
            3   C1z C    25.2000  -16.5200
            4   C1x C    22.8200  -16.5200
            5   C1y C    22.8900  -19.2500
            6   C1x C    26.3900  -18.6200
            7   C1x C    26.3900  -17.2200
            8   C5a C    25.2000  -15.1900
            9   O1a O    26.5300  -16.2400
            10  C1y C    21.6300  -17.2200
            11  C1y C    21.6300  -18.6200
            12  C1x C    22.8900  -20.6500
            13  C1b C    26.3900  -14.4900
            14  O5a O    23.9400  -14.4900
            15  O1a O    20.4400  -16.5200
            16  C1z C    20.5100  -19.2500
            17  C1x C    21.7000  -21.3500
            18  C1a C    27.6500  -15.2600
            19  C2y C    20.5100  -20.6500
            20  C1x C    19.3200  -18.6200
            21  C2x C    19.3200  -21.3500
            22  C1x C    18.1300  -19.3200
            23  C5x C    18.1300  -20.7200
            24  O5x O    16.9400  -21.3500
            25  C1a C    23.9400  -15.9600
            26  C1a C    20.5800  -17.9900
BOND        29
            1     3   8 1 #Up
            2     3   9 1 #Down
            3     4  10 1
            4     5  11 1
            5     5  12 1
            6     8  13 1
            7     8  14 2
            8    10  15 1 #Up
            9    11  16 1
            10   12  17 1
            11   13  18 1
            12   16  19 1
            13   16  20 1
            14   19  21 2
            15   20  22 1
            16   21  23 1
            17   23  24 2
            18    6   7 1
            19   10  11 1
            20   17  19 1
            21   22  23 1
            22    1   2 1
            23    1   3 1
            24    1   4 1
            25    2   5 1
            26    2   6 1
            27    1  25 1 #Up
            28    3   7 1
            29   16  26 1 #Up

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