KEGG   DRUG: Hydrocortisone caproate
Entry
D09796                      Drug                                   

Name
Hydrocortisone caproate (JAN)
Formula
C27H40O6
Exact mass
460.2825
Mol weight
460.6029
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C13422
ATC code: A01AC03 A07EA02 C05AA01 D07AA02 D07XA01 H02AB09 S01BA02 S01CB03 S02BA01
Chemical structure group: DG00012
Product (DG00012): D00088<JP/US> D00165<US> D00977<JP> D00978<JP/US> D01619<JP/US> D01886<JP/US> D02288<US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
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
     A01AC03 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EA Corticosteroids acting locally
     A07EA02 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA01 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA02 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XA Corticosteroids, weak, other combinations
     D07XA01 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB09 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA02 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB03 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
  S02 OTOLOGICALS
   S02B CORTICOSTEROIDS
    S02BA Corticosteroids
     S02BA01 Hydrocortisone
      D09796  Hydrocortisone caproate (JAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D09796  Hydrocortisone caproate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09796
Other DBs
CAS: 3593-96-2
PubChem: 124490536
ChEBI: 31676
ChEMBL: CHEMBL253988
LigandBox: D09796
LinkDB
KCF data

ATOM        33
            1   C1z C    29.1900  -22.1200
            2   C1y C    29.1900  -23.4500
            3   C1z C    30.3100  -21.4200
            4   C1x C    28.0000  -21.4200
            5   C1a C    29.1900  -20.7900
            6   C1y C    28.0000  -24.1500
            7   C1x C    31.5000  -23.4500
            8   C1x C    31.5000  -22.1200
            9   C5a C    30.3100  -20.0900
            10  C1y C    26.8100  -22.1200
            11  C1y C    26.8100  -23.4500
            12  C1x C    28.0000  -25.4800
            13  C1b C    31.5000  -19.3900
            14  O5a O    29.0500  -19.3900
            15  O1a O    25.6200  -21.4200
            16  C1z C    25.6900  -24.1500
            17  C1x C    26.8100  -26.1800
            18  O7a O    32.7600  -20.1600
            19  C2y C    25.6900  -25.4800
            20  C1x C    24.5000  -23.5200
            21  C7a C    33.9500  -19.4600
            22  C2x C    24.5000  -26.1800
            23  C1x C    23.3100  -24.1500
            24  C1b C    35.1400  -20.1600
            25  O6a O    33.9500  -18.0600
            26  C5x C    23.3100  -25.6200
            27  C1b C    36.3300  -19.4600
            28  C1b C    37.5200  -20.1600
            29  O5x O    22.1200  -26.3200
            30  C1a C    25.6900  -22.7500
            31  C1b C    38.7100  -19.4600
            32  C1a C    39.9700  -20.1600
            33  O1a O    31.5924  -21.0700
BOND        36
            1     2   6 1
            2     2   7 1
            3     3   8 1
            4     3   9 1 #Up
            5     4  10 1
            6     6  11 1
            7     6  12 1
            8     9  13 1
            9     9  14 2
            10   10  15 1 #Up
            11   11  16 1
            12   12  17 1
            13   13  18 1
            14   16  19 1
            15   16  20 1
            16   18  21 1
            17   19  22 2
            18   20  23 1
            19   21  24 1
            20   21  25 2
            21   22  26 1
            22   24  27 1
            23   27  28 1
            24    7   8 1
            25   10  11 1
            26   17  19 1
            27   23  26 1
            28   26  29 2
            29    1   2 1
            30   16  30 1 #Up
            31    1   3 1
            32   28  31 1
            33    1   4 1
            34   31  32 1
            35    1   5 1 #Up
            36    3  33 1 #Down

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