KEGG   DRUG: ClobetasoneHelp
Entry
D07717                      Drug                                   

Name
Clobetasone (INN)
Formula
C22H26ClFO4
Exact mass
408.1504
Mol weight
408.8908
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AB01 S01BA09
Chemical structure group: DG00411
Product (DG00411): D01273<JP>
Efficacy
Anti-inflammatory, 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]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB01 Clobetasone
      D07717  Clobetasone (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA09 Clobetasone
      D07717  Clobetasone (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07717  Clobetasone (INN)
BRITE hierarchy
Other DBs
CAS: 54063-32-0
PubChem: 51092013
LigandBox: D07717
NIKKAJI: J12.437K
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1z C    25.2700  -17.2900
            2   C1z C    24.1500  -17.9200
            3   C1y C    26.4600  -17.9200
            4   O1a O    26.4600  -16.5900
            5   C5a C    25.2700  -15.8900
            6   C1y C    24.1500  -19.3200
            7   C1x C    22.9600  -17.2900
            8   C1a C    24.1500  -16.5900
            9   C1x C    26.4600  -19.3200
            10  C1b C    26.4600  -15.1900
            11  O5a O    24.0800  -15.2600
            12  C1y C    22.9600  -19.9500
            13  C5x C    21.7700  -17.9200
            14  X   Cl   26.4600  -13.8600
            15  C1z C    21.7700  -19.3200
            16  C1x C    22.9600  -21.2800
            17  O5x O    20.6500  -17.2200
            18  C1z C    20.6500  -19.9500
            19  X   F    21.7700  -20.6500
            20  C1x C    21.7700  -21.9800
            21  C2y C    20.6500  -21.3500
            22  C2x C    19.4600  -19.3200
            23  C1a C    20.5800  -18.6200
            24  C2x C    19.4600  -21.9800
            25  C2x C    18.2700  -19.9500
            26  C5x C    18.2700  -21.3500
            27  O5x O    17.0800  -21.9800
            28  C1a C    27.8600  -17.9200
BOND        31
            1     2   6 1
            2     2   7 1
            3     2   8 1 #Up
            4     3   9 1
            5     5  10 1
            6     5  11 2
            7     6  12 1
            8     7  13 1
            9    10  14 1
            10   12  15 1
            11   12  16 1
            12   13  17 2
            13   15  18 1
            14   15  19 1 #Down
            15   16  20 1
            16   18  21 1
            17   18  22 1
            18   18  23 1 #Up
            19   21  24 2
            20   22  25 2
            21   24  26 1
            22   26  27 2
            23    6   9 1
            24   13  15 1
            25   20  21 1
            26   25  26 1
            27    3  28 1 #Up
            28    1   2 1
            29    1   3 1
            30    1   4 1 #Down
            31    1   5 1 #Up

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