KEGG   DRUG: Clobetasone butyrate
Entry
D01273                      Drug                                   

Name
Clobetasone butyrate (JAN/USAN);
Kindavate (TN)
Formula
C26H32ClFO5
Exact mass
478.1922
Mol weight
478.9807
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
Therapeutic category: 2646
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
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
      D01273  Clobetasone butyrate (JAN/USAN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA09 Clobetasone
      D01273  Clobetasone butyrate (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2646  Adrenocorticotropic hormones
     D01273  Clobetasone butyrate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D01273  Clobetasone butyrate (JAN/USAN) <JP>
Topical steroids potency [br08317.html]
 Classification in Japan
  D01273
Other DBs
CAS: 25122-57-0
PubChem: 7848336
ChEBI: 31415
ChEMBL: CHEMBL577673 CHEMBL578943
LigandBox: D01273
NIKKAJI: J23.588A
LinkDB
KCF data

ATOM        33
            1   C1z C    20.4972  -13.5753
            2   C1z C    19.3183  -14.2583
            3   C1y C    21.6762  -14.2640
            4   O7a O    21.6820  -12.8866
            5   C5a C    20.4855  -12.2038
            6   C1y C    19.3183  -15.6181
            7   C1x C    18.1393  -13.5695
            8   C1a C    19.3124  -12.8692
            9   C1x C    21.6703  -15.6240
            10  C7a C    23.7011  -12.8866
            11  C1b C    21.6879  -11.5092
            12  O5a O    19.2833  -11.5209
            13  C1y C    18.1335  -16.3010
            14  C5x C    16.9545  -14.2523
            15  X   Cl   21.6762  -10.1201
            16  C1z C    16.9487  -15.6181
            17  C1x C    18.1393  -17.6667
            18  O5x O    15.7639  -13.5579
            19  C1z C    15.7697  -16.3010
            20  X   F    16.9428  -16.9780
            21  C1x C    16.9545  -18.3554
            22  C2y C    15.7697  -17.6725
            23  C2x C    14.5849  -15.6181
            24  C1a C    15.7580  -14.9353
            25  C2x C    14.5849  -18.3554
            26  C2x C    13.4001  -16.3010
            27  C5x C    13.4001  -17.6725
            28  O5x O    12.2096  -18.3495
            29  C1a C    23.0687  -14.2613
            30  O6a O    24.3993  -14.0959
            31  C1b C    24.3993  -11.6773
            32  C1b C    25.7956  -11.6773
            33  C1a C    26.4938  -10.4681
BOND        36
            1     2   6 1
            2     2   7 1
            3     2   8 1 #Up
            4     3   9 1
            5     4  10 1
            6     5  11 1
            7     5  12 2
            8     6  13 1
            9     7  14 1
            10   11  15 1
            11   13  16 1
            12   13  17 1
            13   14  18 2
            14   16  19 1
            15   16  20 1 #Down
            16   17  21 1
            17   19  22 1
            18   19  23 1
            19   19  24 1 #Up
            20   22  25 2
            21   23  26 2
            22   25  27 1
            23   27  28 2
            24    6   9 1
            25   14  16 1
            26   21  22 1
            27   26  27 1
            28    3  29 1 #Up
            29    1   2 1
            30   10  30 2
            31    1   3 1
            32   10  31 1
            33    1   4 1 #Down
            34   31  32 1
            35    1   5 1 #Up
            36   32  33 1

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