KEGG   DRUG: Resocortol butyrate
Entry
D05719                      Drug                                   

Name
Resocortol butyrate (USAN)
Formula
C26H38O5
Exact mass
430.2719
Mol weight
430.5769
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Chemical structure group: DG01545
Efficacy
Anti-inflammatory (topical), Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D05719  Resocortol butyrate (USAN)
Other DBs
CAS: 76738-96-0
PubChem: 47207380
ChEMBL: CHEMBL2107186
LigandBox: D05719
NIKKAJI: J309.318B
LinkDB
KCF data

ATOM        31
            1   C1z C    24.5720  -20.1684
            2   C1y C    24.5897  -21.5305
            3   C1z C    25.7521  -19.4755
            4   C1x C    23.4153  -19.4932
            5   C1y C    23.4330  -22.2175
            6   C1x C    26.9557  -21.5771
            7   C1x C    26.9440  -20.1449
            8   C5a C    25.7404  -18.1075
            9   O7a O    27.1026  -19.1879
            10  C1y C    22.2234  -20.1861
            11  C1y C    22.1594  -21.5422
            12  C1x C    23.4330  -23.5797
            13  C1b C    26.9852  -17.4499
            14  O5a O    24.5132  -17.3970
            15  O1a O    21.0022  -19.4815
            16  C1z C    21.0727  -22.2233
            17  C1x C    22.2528  -24.2666
            18  C1a C    28.1947  -18.1955
            19  C2y C    21.0845  -23.5915
            20  C1x C    19.8866  -21.5540
            21  C2x C    19.8984  -24.2843
            22  C1x C    18.7006  -22.2350
            23  C5x C    18.6829  -23.6735
            24  O5x O    17.4910  -24.3136
            25  C7a C    28.3127  -19.8865
            26  C1b C    29.5258  -19.1842
            27  C1b C    30.7391  -19.8865
            28  C1a C    31.9522  -19.1842
            29  O6a O    28.3135  -21.2913
            30  C1a C    24.5169  -18.9013
            31  C1a C    21.1105  -20.9577
BOND        34
            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    9  25 1
            23    1   2 1
            24   25  26 1
            25    1   3 1
            26   26  27 1
            27    1   4 1
            28   27  28 1
            29    2   5 1
            30   25  29 2
            31    2   6 1
            32    1  30 1 #Up
            33    3   7 1
            34   16  31 1 #Up

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