KEGG   DRUG: Dexamethasone acefurateHelp
Entry
D02591                      Drug                                   

Name
Dexamethasone acefurate (USAN/INN)
Formula
C29H33FO8
Exact mass
528.2159
Mol weight
528.5659
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cyp substrate
 DG01633  CYP3A4 substrate
Unclassified
 DG01938  CYP2D6 inducer
Remark
Activity
Steroid (topical)
Comment
Corticosteroid
Target
glucocorticoid receptor [HSA:2908] [KO:K05771]
  Pathway
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)
Cytochrome P450 interactions [BR:br08309]
 CYP inducers
  CYP2D6
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
 CYP substrates
  CYP3A4
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
  CYP3A5
   Dexamethasone
    D02591  Dexamethasone acefurate (USAN/INN)
  CYP3A7
   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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