KEGG   DRUG: HydrocodoneHelp
Entry
D08045                      Drug                                   

Name
Hydrocodone (INN);
Dihydrocodeinone
Formula
C18H21NO3
Exact mass
299.1521
Mol weight
299.3642
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Enzyme substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C08024
ATC code: R05DA03
Chemical structure group: DG01075
Product (DG01075): D03725<US>
Product (mixture): D11087<US> D11075<US> D11076<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
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08045  Hydrocodone (INN)
Prodrugs [br08324.html]
 D08045
BRITE hierarchy
Other DBs
CAS: 125-29-1
PubChem: 96024738
ChEBI: 5779
ChEMBL: CHEMBL1457
DrugBank: DB00956
LigandBox: D08045
NIKKAJI: J5.369D
LinkDB All DBs
KCF data Show

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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