KEGG   DRUG: OxycodoneHelp
Entry
D05312                      Drug                                   

Name
Oxycodone (USAN/INN)
Formula
C18H21NO4
Exact mass
315.1471
Mol weight
315.3636
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Remark
Same as: C08018
ATC code: N02AA05
Chemical structure group: DG00813
Product (DG00813): D00847<US> D02175<JP> D05462<JP>
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
      D05312  Oxycodone (USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Oxycodone
    D05312  Oxycodone (USAN/INN)
  Opioid Analgesics, Short-acting
   Oxycodone
    D05312  Oxycodone (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05312  Oxycodone (USAN/INN)
    OPRK1
     D05312  Oxycodone (USAN/INN)
    OPRD1
     D05312  Oxycodone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 76-42-6
PubChem: 47207011
ChEBI: 7852
ChEMBL: CHEMBL1740794 CHEMBL656
DrugBank: DB00497
LigandBox: D05312
NIKKAJI: J9.316E
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1z C    23.8762  -18.4036
            2   C8y C    23.8702  -17.0454
            3   C1z C    25.0479  -19.0741
            4   C1y C    22.7161  -19.0858
            5   C8y C    22.6985  -16.3692
            6   C8y C    25.0420  -16.3692
            7   C1y C    26.2139  -18.3862
            8   C1x C    25.0536  -20.4149
            9   O1a O    26.2139  -20.0187
            10  O2x O    22.0106  -17.7452
            11  C5x C    22.7219  -20.4265
            12  C8y C    22.6985  -15.0168
            13  C1x C    26.2139  -17.0395
            14  C8x C    25.0420  -15.0168
            15  N1y N    27.3797  -19.0624
            16  C1x C    23.8936  -21.0970
            17  O5x O    21.5385  -21.0911
            18  C8x C    23.8702  -14.3406
            19  O2a O    21.5211  -14.3406
            20  C1a C    28.7321  -19.0624
            21  C1x C    27.3797  -17.7324
            22  C1x C    25.0886  -17.7036
            23  C1a C    20.2830  -15.0594
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   11  17 2
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20    5  10 1
            21    7  13 1
            22   11  16 1
            23   14  18 2
            24   15  21 1
            25    1  22 1 #Up
            26   22  21 1
            27   19  23 1

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