KEGG   DRUG: Hydrocodone
Entry
D08045                      Drug                                   
Name
Hydrocodone (INN);
Dihydrocodeinone
Formula
C18H21NO3
Exact mass
299.1521
Mol weight
299.3642
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C08024
ATC code: R05DA03
Chemical structure group: DG01075
Product (DG01075): D03725<US>
Product (mixture): D11075<US> D11076<US> D11087<US>
Efficacy
Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2D6 [HSA:1565], CYP2B6 [HSA:1555], CYP2C19 [HSA:1557]
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA03 Hydrocodone
      D08045  Hydrocodone (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
     D08045  Hydrocodone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
    D08045  Hydrocodone
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
    D08045  Hydrocodone
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
    D08045  Hydrocodone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
     D08045  Hydrocodone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08045  Hydrocodone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08045
Prodrugs [br08324.html]
 D08045
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
Other DBs
CAS: 125-29-1
PubChem: 96024738
ChEBI: 5779
LigandBox: D08045
NIKKAJI: J5.369D
LinkDB
KCF data

ATOM        22
            1   C1z C    23.4500  -18.5500
            2   C8y C    23.4500  -17.2200
            3   C1y C    24.6400  -19.2500
            4   C1y C    22.3300  -19.1800
            5   C1x C    24.6400  -17.9200
            6   C8y C    22.3300  -16.5900
            7   C8y C    24.6400  -16.5900
            8   C1y C    25.7600  -18.5500
            9   C1x C    24.6400  -20.5100
            10  O2x O    21.0700  -17.8500
            11  C5x C    22.3300  -20.5100
            12  C1x C    26.8800  -17.9200
            13  C8y C    22.3300  -15.2600
            14  C1x C    25.7600  -17.2900
            15  C8x C    24.6400  -15.2600
            16  N1y N    26.8800  -19.2500
            17  C1x C    23.4500  -21.2100
            18  O5x O    21.2800  -21.2100
            19  C8x C    23.5200  -14.6300
            20  O2a O    21.2800  -14.6300
            21  C1a C    20.0900  -15.2600
            22  C1a C    28.2800  -19.2500
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20   20  21 1
            21    6  10 1
            22    8  14 1
            23   11  17 1
            24   12  16 1
            25   15  19 1
            26   16  22 1

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