KEGG   DRUG: Oxycodone terephthalateHelp
Entry
D03783                      Drug                                   

Name
Oxycodone terephthalate (USP)
Formula
(C18H21NO4)2. C8H6O4
Exact mass
796.3207
Mol weight
796.8581
Structure
Mol fileKCF fileDB search
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
ATC code: N02AA05
Chemical structure group: DG00813
Product (DG00813): D00847<US> D05462<JP>
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Comment
Component of Percodan (TN)
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
      D03783  Oxycodone terephthalate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03783  Oxycodone terephthalate (USP)
    OPRK1
     D03783  Oxycodone terephthalate (USP)
    OPRD1
     D03783  Oxycodone terephthalate (USP)
BRITE hierarchy
Other DBs
CAS: 64336-55-6
PubChem: 47205890
ChEMBL: CHEMBL3989826
DrugBank: DB00497
LigandBox: D03783
KCF data Show

ATOM        58
            1   C8y C    18.5189   -7.7038
            2   C6a C    18.5189   -9.1090
            3   C8x C    17.3246   -7.0013
            4   C8x C    19.7133   -7.0013
            5   O6a O    19.7836   -9.8116
            6   O6a O    17.3246   -9.8116
            7   C8x C    17.3246   -5.5961
            8   C8x C    19.7133   -5.5961
            9   C8y C    18.5189   -4.9638
            10  C6a C    18.5189   -3.5586
            11  O6a O    19.7836   -2.8560
            12  O6a O    17.3246   -2.8560
            13  C1z C     7.4981   -7.5172
            14  C8y C     7.4921   -6.1668
            15  C1z C     8.6630   -8.1838
            16  C1y C     6.3447   -8.1954
            17  C8y C     6.3272   -5.4945
            18  C8y C     8.6572   -5.4945
            19  C1y C     9.8223   -7.4999
            20  C1x C     8.6687   -9.5168
            21  O1a O     9.8223   -9.1229
            22  O2x O     5.6433   -6.8626
            23  C5x C     6.3505   -9.5284
            24  C8y C     6.3272   -4.1499
            25  C1x C     9.8223   -6.1609
            26  C8x C     8.6572   -4.1499
            27  N1y N    10.9813   -8.1721
            28  C1x C     7.5154  -10.1950
            29  O5x O     5.1739  -10.1891
            30  C8x C     7.4921   -3.4777
            31  O2a O     5.1566   -3.4777
            32  C1a C    12.3259   -8.1721
            33  C1x C    10.9813   -6.8498
            34  C1x C     8.7035   -6.8912
            35  C1a C     3.9257   -4.1923
            36  C1z C     7.4981   -7.5172
            37  C8y C     7.4921   -6.1668
            38  C8y C     6.3272   -5.4945
            39  C8y C     6.3272   -4.1499
            40  C8x C     7.4921   -3.4777
            41  C8x C     8.6572   -4.1499
            42  C8y C     8.6572   -5.4945
            43  C1x C     9.8223   -6.1609
            44  C1y C     9.8223   -7.4999
            45  C1z C     8.6630   -8.1838
            46  C1x C     8.6687   -9.5168
            47  C1x C     7.5154  -10.1950
            48  C5x C     6.3505   -9.5284
            49  C1y C     6.3447   -8.1954
            50  O2x O     5.6433   -6.8626
            51  O5x O     5.1739  -10.1891
            52  O1a O     9.8223   -9.1229
            53  N1y N    10.9813   -8.1721
            54  C1a C    12.3259   -8.1721
            55  C1x C    10.9813   -6.8498
            56  C1x C     8.7035   -6.8912
            57  O2a O     5.1566   -3.4777
            58  C1a C     3.9257   -4.1923
BOND        66
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    8   9 2
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 1
            20   15  21 1 #Up
            21   16  22 1 #Down
            22   16  23 1
            23   17  24 2
            24   18  25 1
            25   18  26 1
            26   19  27 1 #Up
            27   20  28 1
            28   23  29 2
            29   24  30 1
            30   24  31 1
            31   27  32 1
            32   17  22 1
            33   19  25 1
            34   23  28 1
            35   26  30 2
            36   27  33 1
            37   13  34 1 #Up
            38   34  33 1
            39   31  35 1
            40   36  37 1
            41   36  45 1
            42   36  49 1
            43   37  38 1
            44   37  42 2
            45   45  44 1
            46   45  46 1
            47   45  52 1 #Up
            48   49  50 1 #Down
            49   49  48 1
            50   38  39 2
            51   42  43 1
            52   42  41 1
            53   44  53 1 #Up
            54   46  47 1
            55   48  51 2
            56   39  40 1
            57   39  57 1
            58   53  54 1
            59   38  50 1
            60   44  43 1
            61   48  47 1
            62   41  40 2
            63   53  55 1
            64   36  56 1 #Up
            65   56  55 1
            66   57  58 1
BRACKET     1     2.1000  -11.0600    2.1000   -2.3100
            1    14.2800   -2.3100   14.2800  -11.0600
            1  2
 ORIGINAL  1   13  14  17  24  30  26  18  25  19  15  20  28  23  16  22  29
            1   21  27  32  33  34  31  35
 REPEAT    1   36  37  38  39  40  41  42  43  44  45  46  47  48  49  50  51
            1   52  53  54  55  56  57  58

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