KEGG   DRUG: D02591Help
Entry
D02591                      Drug                                   

Name
Dexamethasone acefurate (USAN/INN)
Formula
C29H33FO8
Exact mass
528.2159
Mol weight
528.5659
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Steroid [topical] [DS:H00010]
Remark
Comment
Corticosteroid
Target
glucocorticoid receptor agonist [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
CYP induction: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Glucocorticoid and meneralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AC Corticosteroids for local oral treatment
     A01AC02 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA09 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB19 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB05 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA03 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB02 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD03 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA01 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB01 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA06 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA01 Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Adrenal)
  Dexamethasone
   D02591  Dexamethasone acefurate (USAN/INN)
  Dexamethasone
   D02591  Dexamethasone acefurate (USAN/INN)
 Inflammatory Bowel Disease Agents
  Glucocorticoids
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    glucocorticoid receptor
     Dexamethasone
      D02591  Dexamethasone acefurate (USAN/INN)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonists
  Corticosteroid
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
  CYP3A5
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
  CYP3A7
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
 Inducers
  CYP2D6
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
83880-70-0
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        38
            1   C2x C    18.2728  -16.5491
            2   C5x C    18.2728  -17.9064
            3   C2x C    19.4482  -18.5850
            4   C2y C    20.6236  -17.9064
            5   C1z C    20.6236  -16.5491
            6   C2x C    19.4482  -15.8705
            7   C1x C    21.7991  -18.5850
            8   C1x C    22.9744  -17.9064
            9   C1y C    22.9744  -16.5491
            10  C1z C    21.7991  -15.8705
            11  C1y C    24.1499  -15.8705
            12  C1z C    24.1499  -14.5132
            13  C1x C    22.9744  -13.8346
            14  C1y C    21.7991  -14.5132
            15  C1x C    26.5007  -15.8705
            16  C1y C    26.5007  -14.5132
            17  C1z C    25.3253  -13.8346
            18  C1a C    20.6236  -15.1918
            19  O1a O    20.6256  -13.8358
            20  C1a C    24.1499  -13.1560
            21  C1a C    27.6636  -13.8417
            22  C5a C    25.3253  -12.1381
            23  X   F    21.7991  -17.2277
            24  O7a O    27.0607  -12.7365
            25  O5x O    17.0975  -18.5850
            26  O5a O    26.5047  -11.4572
            27  C1b C    24.1538  -11.4617
            28  O7a O    22.9968  -12.1299
            29  C7a C    28.4607  -12.7365
            30  O6a O    29.1691  -13.9642
            31  C8y C    29.1663  -11.5142
            32  C8x C    30.5663  -11.5142
            33  C8x C    30.9989  -10.1827
            34  C8x C    29.8663   -9.3598
            35  O2x O    28.7337  -10.1827
            36  C7a C    21.8011  -11.4393
            37  C1a C    20.5786  -12.1452
            38  O6a O    21.8019  -10.0104
BOND        42
            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    5  18 1 #Up
            22   14  19 1 #Up
            23   12  20 1 #Up
            24   16  21 1 #Down
            25   17  22 1 #Up
            26   10  23 1 #Down
            27   17  24 1 #Down
            28    2  25 2
            29   22  26 2
            30   22  27 1
            31   27  28 1
            32   24  29 1
            33   29  30 2
            34   29  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   31  35 1
            40   28  36 1
            41   36  37 1
            42   36  38 2

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