KEGG   DRUG: D08660Help
Entry
D08660                      Drug                                   

Name
Ulobetasol (INN);
Halobetasol
Formula
C22H27ClF2O4
Exact mass
428.1566
Mol weight
428.8972
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Adrenal cortex hormone, glucocorticoid
Remark
ATC code: 
Drug group: 
Target
glucocorticoid receptor agonist [HSA:2908] [KO:K05771]
  Pathway
hsa04020  Calcium signaling pathway  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC21 Ulobetasol
      D08660  Ulobetasol (INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Adrenal)
  Halobetasol
   D08660  Ulobetasol (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    glucocorticoid receptor
     Ulobetasol
      D08660  Ulobetasol (INN)
BRITE hierarchy
Other DBs
CAS: 
98651-66-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C2x C    18.0324  -15.8634
            2   C5x C    18.0324  -17.2667
            3   C2x C    19.2252  -17.8981
            4   C2y C    20.4180  -17.2667
            5   C1z C    20.4180  -15.8634
            6   C2x C    19.2252  -15.2320
            7   C1y C    21.6107  -17.8981
            8   C1x C    22.7333  -17.2667
            9   C1y C    22.7333  -15.8634
            10  C1z C    21.6107  -15.2320
            11  C1y C    23.9261  -15.2320
            12  C1z C    23.9261  -13.8287
            13  C1x C    22.7333  -13.1973
            14  C1y C    21.6107  -13.8287
            15  X   F    21.6107  -16.5650
            16  X   F    21.6107  -19.3014
            17  C1a C    23.9261  -12.4956
            18  O1a O    20.4180  -13.1973
            19  C1a C    20.4180  -14.5303
            20  O5x O    16.9099  -17.8981
            21  C1x C    26.3509  -15.2320
            22  C1y C    26.3509  -13.8287
            23  C1z C    25.1385  -13.1287
            24  C5a C    25.1191  -11.4432
            25  O5a O    26.4519  -10.7416
            26  C1b C    23.9962  -10.7416
            27  X   Cl   22.8736  -11.4432
            28  O1a O    26.3509  -12.4287
            29  C1a C    27.7032  -13.4664
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            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   10  15 1 #Down
            18    7  16 1 #Down
            19   12  17 1 #Up
            20   14  18 1 #Up
            21    5  19 1 #Up
            22    2  20 2
            23   11  21 1
            24   21  22 1
            25   22  23 1
            26   12  23 1
            27   24  25 2
            28   24  26 1
            29   26  27 1
            30   23  24 1 #Up
            31   23  28 1 #Down
            32   22  29 1 #Up

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