KEGG   DRUG: Dexamethasone isonicotinate
Entry
D07797                      Drug                                   

Name
Dexamethasone isonicotinate;
Dexamethasone 21-isonicotinate;
Voren [veterinary] (TN)
Formula
C28H32FNO6
Exact mass
497.2214
Mol weight
497.5552
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
      D07797  Dexamethasone isonicotinate
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA09 Dexamethasone
      D07797  Dexamethasone isonicotinate
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB19 Dexamethasone
      D07797  Dexamethasone isonicotinate
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB05 Dexamethasone
      D07797  Dexamethasone isonicotinate
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA03 Dexamethasone
      D07797  Dexamethasone isonicotinate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB02 Dexamethasone
      D07797  Dexamethasone isonicotinate
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD03 Dexamethasone
      D07797  Dexamethasone isonicotinate
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA01 Dexamethasone
      D07797  Dexamethasone isonicotinate
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB01 Dexamethasone
      D07797  Dexamethasone isonicotinate
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA06 Dexamethasone
      D07797  Dexamethasone isonicotinate
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03B CORTICOSTEROIDS
    S03BA Corticosteroids
     S03BA01 Dexamethasone
      D07797  Dexamethasone isonicotinate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07797  Dexamethasone isonicotinate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07797
Other DBs
CAS: 2265-64-7
PubChem: 96024494
ChEMBL: CHEMBL3186453
LigandBox: D07797
NIKKAJI: J15.020G
LinkDB
KCF data

ATOM        36
            1   C2x C     2.9299  -11.3320
            2   C5x C     2.9299  -12.6660
            3   C2x C     4.1235  -13.3682
            4   C2y C     5.3171  -12.6660
            5   C1z C     5.3171  -11.3320
            6   C2x C     4.1235  -10.7001
            7   C1x C     6.4405  -13.3682
            8   C1x C     7.6341  -12.6660
            9   C1y C     7.6341  -11.3320
            10  C1z C     6.4405  -10.7001
            11  C1y C     8.8277  -10.7001
            12  C1z C     8.8277   -9.2958
            13  C1x C     7.6341   -8.6639
            14  C1y C     6.4405   -9.2958
            15  C1x C    11.2150  -10.7001
            16  C1y C    11.2150   -9.2958
            17  C1z C    10.0214   -8.6639
            18  O1a O    11.0044   -7.6809
            19  X   F     6.4405  -11.9639
            20  O5x O     1.8064  -13.3682
            21  C1a C     8.8277   -7.9618
            22  C1a C     5.3171   -9.9979
            23  O1a O     5.5277   -8.3830
            24  C5a C    10.0214   -6.8384
            25  O5a O     8.8277   -6.1362
            26  C1a C    12.3971   -8.5841
            27  C1b C    11.2188   -6.1537
            28  O7a O    12.4168   -6.8523
            29  C7a C    13.6087   -6.1709
            30  C8y C    14.7919   -6.8608
            31  O6a O    13.6149   -4.7604
            32  C8x C    14.7859   -8.2599
            33  C8x C    15.9954   -8.9651
            34  N5x N    17.2108   -8.2703
            35  C8x C    17.2168   -6.8713
            36  C8x C    16.0074   -6.1661
BOND        40
            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   24  25 2
            28   17  24 1 #Up
            29   16  26 1 #Down
            30   24  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 2
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   30  36 1

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