KEGG   DRUG: Oxycodone hydrochloride hydrateHelp
Entry
D05462                      Drug                                   

Name
Oxycodone hydrochloride hydrate (JP17)
Formula
C18H21NO4. 3H2O. HCl
Exact mass
405.1554
Mol weight
405.8704
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 8119
ATC code: N02AA05
Chemical structure group: DG00813
Product (DG00813): D00847<US> D05462<JP>
Product (mixture): D11573<US>
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2D6 [HSA:1565]
Interaction
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA05 Oxycodone
      D05462  Oxycodone hydrochloride hydrate (JP17) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Oxycodone
    D05462  Oxycodone hydrochloride hydrate (JP17)
  Opioid Analgesics, Short-acting
   Oxycodone
    D05462  Oxycodone hydrochloride hydrate (JP17)
Therapeutic category of drugs in Japan [BR:br08301]
 8  Narcotics
  81  Alkaloidal narcotics
   811  Opium alkaloids
    8119  Others
     D05462  Oxycodone hydrochloride hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05462  Oxycodone hydrochloride hydrate (JP17) <JP>
    OPRK1
     D05462  Oxycodone hydrochloride hydrate (JP17) <JP>
    OPRD1
     D05462  Oxycodone hydrochloride hydrate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D05462  Oxycodone hydrochloride hydrate
BRITE hierarchy
Other DBs
PubChem: 47207131
DrugBank: DB00497
LigandBox: D05462
KCF data Show

ATOM        27
            1   X   Cl   16.4762   -9.1832
            2   O0  O    17.1806  -11.8405
            3   C1z C     7.4494  -10.6994
            4   C8y C     7.4494   -9.3754
            5   C1z C     8.6340  -11.3961
            6   C1y C     6.3345  -11.3265
            7   C1x C     8.6340  -10.0723
            8   C8y C     6.3345   -8.7483
            9   C8y C     8.6340   -8.7483
            10  C1y C     9.7489  -10.6994
            11  C1x C     8.6340  -12.6504
            12  O2x O     5.0106  -10.0025
            13  C5x C     6.3345  -12.6504
            14  C1x C    10.8637  -10.0723
            15  C8y C     6.3345   -7.4244
            16  C1x C     9.7489   -9.4451
            17  C8x C     8.6340   -7.4244
            18  N1y N    10.8637  -11.3961
            19  C1x C     7.4494  -13.3472
            20  O5x O     5.2197  -13.3472
            21  C8x C     7.5191   -6.7973
            22  O2a O     5.2197   -6.7973
            23  C1a C     4.0351   -7.4244
            24  O1a O     9.8882  -12.3020
            25  C1a C    12.2626  -11.3961
            26  O0  O    17.1806  -11.8405
            27  O0  O    17.1806  -11.8405
BOND        27
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     3   7 1 #Up
            5     4   8 2
            6     4   9 1
            7     5  10 1
            8     5  11 1
            9     6  12 1 #Down
            10    6  13 1
            11    7  14 1
            12    8  15 1
            13    9  16 1
            14    9  17 2
            15   10  18 1 #Up
            16   11  19 1
            17   13  20 2
            18   15  21 2
            19   15  22 1
            20   22  23 1
            21    8  12 1
            22   10  16 1
            23   13  19 1
            24   14  18 1
            25   17  21 1
            26    5  24 1 #Up
            27   18  25 1
BRACKET     1    14.9100  -12.8100   14.9100  -10.8500
            1    17.7100  -10.8500   17.7100  -12.8100
            1  3
 ORIGINAL  1    2
 REPEAT    1   26  27

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