KEGG   DRUG: Dexamethasone 21-valerate
Entry
D07800                      Drug                                   

Name
Dexamethasone 21-valerate;
Voalla (TN);
Zalucs (TN)
Formula
C27H37FO6
Exact mass
476.2574
Mol weight
476.5775
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inducer
 DG01635  CYP3A4 inducer
Remark
ATC code: A01AC02 C05AA09 D07AB19 D07XB05 D10AA03 H02AB02 R01AD03 S01BA01 S01CB01 S02BA06 S03BA01
Chemical structure group: DG00011
Product (DG00011): D00292<JP/US> D00975<JP/US> D01510<JP> D01615<JP> D01632<JP> D01948<JP> D07073<JP>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP induction: CYP3A4 [HSA:1576]
Structure map
map07225  Glucocorticoid and mineralocorticoid 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
      D07800  Dexamethasone 21-valerate
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA09 Dexamethasone
      D07800  Dexamethasone 21-valerate
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB19 Dexamethasone
      D07800  Dexamethasone 21-valerate
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB05 Dexamethasone
      D07800  Dexamethasone 21-valerate
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA03 Dexamethasone
      D07800  Dexamethasone 21-valerate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB02 Dexamethasone
      D07800  Dexamethasone 21-valerate
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD03 Dexamethasone
      D07800  Dexamethasone 21-valerate
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA01 Dexamethasone
      D07800  Dexamethasone 21-valerate
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB01 Dexamethasone
      D07800  Dexamethasone 21-valerate
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA06 Dexamethasone
      D07800  Dexamethasone 21-valerate
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA01 Dexamethasone
      D07800  Dexamethasone 21-valerate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07800  Dexamethasone 21-valerate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07800
Other DBs
CAS: 2600-31-9
PubChem: 96024497
LigandBox: D07800
NIKKAJI: J192.109F
LinkDB
KCF data

ATOM        34
            1   C2x C     7.7000  -22.4000
            2   C5x C     7.7000  -23.7300
            3   C2x C     8.8900  -24.4300
            4   C2y C    10.0800  -23.7300
            5   C1z C    10.0800  -22.4000
            6   C2x C     8.8900  -21.7700
            7   C1x C    11.2000  -24.4300
            8   C1x C    12.3900  -23.7300
            9   C1y C    12.3900  -22.4000
            10  C1z C    11.2000  -21.7700
            11  C1y C    13.5800  -21.7700
            12  C1z C    13.5800  -20.3700
            13  C1x C    12.3900  -19.7400
            14  C1y C    11.2000  -20.3700
            15  C1x C    15.9600  -21.7700
            16  C1y C    15.9600  -20.3700
            17  C1z C    14.7700  -19.7400
            18  O1a O    15.7500  -18.7600
            19  X   F    11.2000  -23.0300
            20  O5x O     6.5800  -24.4300
            21  C1a C    13.5800  -19.0400
            22  C1a C    10.0800  -21.0700
            23  O1a O    10.2900  -19.4600
            24  C1a C    17.3600  -19.8100
            25  C5a C    14.7700  -17.9200
            26  O5a O    13.5800  -17.2200
            27  C1b C    15.9853  -17.2249
            28  O7a O    17.1737  -17.9177
            29  C7a C    18.3701  -17.2335
            30  C1b C    19.5513  -17.9219
            31  O6a O    18.3156  -15.8202
            32  C1b C    20.7513  -17.2355
            33  C1b C    21.9308  -17.9229
            34  C1a C    23.1315  -17.2359
BOND        37
            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   15  16 1
            18   16  17 1
            19   12  17 1
            20   17  18 1 #Down
            21   10  19 1 #Down
            22    2  20 2
            23   11  15 1
            24   12  21 1 #Up
            25    5  22 1 #Up
            26   14  23 1 #Up
            27   16  24 1 #Down
            28   25  26 2
            29   17  25 1 #Up
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 1

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