KEGG   DRUG: Halobetasol propionateHelp
Entry
D04409                      Drug                                   

Name
Halobetasol propionate (USAN);
Ulobetasol propionate;
Ultravate (TN)
Product
  Generic
Formula
C25H31ClF2O5
Exact mass
484.1828
Mol weight
484.9604
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Remark
ATC code: D07AC21
Chemical structure group: DG00421
Product (DG00421): D04409<US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
  Disease
Plaque psoriasis [DS:H01656]
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
    D07AC Corticosteroids, potent (group III)
     D07AC21 Ulobetasol
      D04409  Halobetasol propionate (USAN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Adrenal)
  Halobetasol
   D04409  Halobetasol propionate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D04409  Halobetasol propionate (USAN) <US>
Topical steroids potency [br08317.html]
 Classification in the USA
  D04409
BRITE hierarchy
Other DBs
CAS: 66852-54-8
PubChem: 47206289
ChEMBL: CHEMBL1200908 CHEMBL1876307
DrugBank: DB00596
LigandBox: D04409
LinkDB All DBs
KCF data Show

ATOM        33
            1   C2x C    15.2600  -25.4100
            2   C5x C    15.2600  -26.8100
            3   C2x C    16.4500  -27.5100
            4   C2y C    17.7100  -26.8100
            5   C1z C    17.7100  -25.4100
            6   C2x C    16.4500  -24.7100
            7   C1y C    18.9000  -27.5100
            8   C1x C    20.0900  -26.8100
            9   C1y C    20.0900  -25.4100
            10  C1z C    18.9000  -24.7100
            11  C1y C    21.3500  -24.7100
            12  C1z C    21.3500  -23.3100
            13  C1x C    20.0900  -22.6100
            14  C1y C    18.9000  -23.3100
            15  C1x C    23.7300  -24.7100
            16  C1y C    23.7300  -23.3100
            17  C1z C    22.5400  -22.6100
            18  O5x O    14.0700  -27.5100
            19  C1a C    17.7100  -24.0100
            20  X   F    18.9000  -26.1100
            21  X   F    18.9000  -28.9100
            22  O1a O    17.7100  -22.6100
            23  C1a C    21.3500  -21.9100
            24  O7a O    23.7300  -21.9100
            25  C7a C    25.1300  -21.9100
            26  O6a O    25.8300  -20.6975
            27  C1b C    25.8300  -23.1224
            28  C1a C    27.2298  -23.1224
            29  C5a C    22.5400  -20.9300
            30  O5a O    23.7524  -20.2300
            31  C1b C    21.3276  -20.2300
            32  X   Cl   20.1321  -20.9204
            33  C1a C    25.1417  -23.1902
BOND        36
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   10  20 1 #Down
            24    7  21 1 #Down
            25   14  22 1 #Up
            26   12  23 1 #Up
            27   17  24 1 #Down
            28   24  25 1
            29   25  26 2
            30   25  27 1
            31   27  28 1
            32   17  29 1 #Up
            33   29  30 2
            34   29  31 1
            35   31  32 1
            36   16  33 1 #Up

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