KEGG   DRUG: MedrysoneHelp
Entry
D02289                      Drug                                   

Name
Medrysone (USAN);
HMS (TN)
Formula
C22H32O3
Exact mass
344.2351
Mol weight
344.4877
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Same as: C14643
ATC code: S01BA08
Efficacy
Anti-inflammatory (ophthalmic), Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA08 Medrysone
      D02289  Medrysone (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D02289  Medrysone (USAN)
BRITE hierarchy
Other DBs
CAS: 2668-66-8
PubChem: 7849348
ChEBI: 34829
ChEMBL: CHEMBL1201173
DrugBank: DB00253
LigandBox: D02289
NIKKAJI: J7.644I
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1x C    22.1242  -19.7208
            2   C5x C    22.1242  -21.0885
            3   C2x C    23.3087  -21.7724
            4   C2y C    24.4932  -21.0885
            5   C1z C    24.4932  -19.7208
            6   C1x C    23.3087  -19.0369
            7   C1y C    25.6778  -21.7724
            8   C1x C    26.8623  -21.0885
            9   C1y C    26.8623  -19.7208
            10  C1y C    25.6778  -19.0369
            11  C1y C    28.0468  -19.0369
            12  C1z C    28.0468  -17.6691
            13  C1x C    26.8623  -16.9852
            14  C1y C    25.6778  -17.6691
            15  C1x C    30.4159  -19.0369
            16  C1x C    30.4159  -17.6691
            17  C1y C    29.2314  -16.9852
            18  C5a C    29.2367  -15.6175
            19  C1a C    28.0512  -16.3013
            20  O1a O    24.4953  -16.9863
            21  C1a C    24.4950  -18.3530
            22  C1a C    25.6804  -23.1402
            23  O5x O    20.9397  -21.7724
            24  O5a O    30.4238  -14.9381
            25  C1a C    28.0547  -14.9290
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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   17  18 1 #Up
            22   12  19 1 #Up
            23   14  20 1 #Up
            24    5  21 1 #Up
            25    7  22 1 #Down
            26    2  23 2
            27   18  24 2
            28   18  25 1

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