KEGG   DRUG: D03580Help
Entry
D03580                      Drug                                   

Name
Codeine sulfate (USP);
Codeine sulfate trihydrate
Product
  Generic
Formula
(C18H21NO3)2. H2SO4. 3H2O
Exact mass
750.3034
Mol weight
750.8528
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antitussive;
Analgesic [narcotic]
Remark
ATC code: 
Drug group: 
Comment
prodrug, active substance: Morphine [DR:D08233]
Target
mu-opioid receptor agonist [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576], UGT2B7 [HSA:7364]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Opioid analgesics
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
     R05DA04 Codeine
      D03580  Codeine sulfate (USP)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Codeine
    D03580  Codeine sulfate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor
     Codeine
      D03580  Codeine sulfate (USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Codeine
    D03580  Codeine sulfate (USP)
  CYP3A4
   Codeine
    D03580  Codeine sulfate (USP)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    D03580  Codeine sulfate (USP)
BRITE hierarchy
Other DBs
CAS: 
6854-40-6
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        52
            1   O0  O    29.9570  -18.1983
            2   C1z C    18.8310  -16.9590
            3   C8y C    18.8310  -15.6336
            4   C1y C    20.0168  -17.6566
            5   C1y C    17.7147  -17.5868
            6   C1x C    20.0168  -16.3312
            7   C8y C    17.7147  -15.0057
            8   C8y C    20.0168  -15.0057
            9   C1y C    21.1330  -16.9590
            10  C2x C    20.0168  -18.9123
            11  O2x O    16.3893  -16.2614
            12  C1y C    17.7147  -18.9123
            13  C1x C    22.2491  -16.3312
            14  C8y C    17.7147  -13.6802
            15  C1x C    21.1330  -15.7033
            16  C8x C    20.0168  -13.6802
            17  N1y N    22.2491  -17.6566
            18  C2x C    18.8310  -19.6099
            19  O1a O    16.5985  -19.6099
            20  C8x C    18.9007  -13.0524
            21  O2a O    16.5985  -13.0524
            22  C1a C    15.4127  -13.6802
            23  C1a C    23.6491  -17.6566
            24  S4a S    28.9520  -14.8100
            25  O1d O    28.9520  -13.4100
            26  O1d O    28.9520  -16.2100
            27  O1d O    27.5519  -14.8100
            28  O1d O    30.3519  -14.8100
            29  O0  O    29.9570  -18.1983
            30  O0  O    29.9570  -18.1983
            31  C1z C    18.8310  -16.9590
            32  C8y C    18.8310  -15.6336
            33  C8y C    17.7147  -15.0057
            34  C8y C    17.7147  -13.6802
            35  C8x C    18.9007  -13.0524
            36  C8x C    20.0168  -13.6802
            37  C8y C    20.0168  -15.0057
            38  C1x C    21.1330  -15.7033
            39  C1y C    21.1330  -16.9590
            40  C1y C    20.0168  -17.6566
            41  C2x C    20.0168  -18.9123
            42  C2x C    18.8310  -19.6099
            43  C1y C    17.7147  -18.9123
            44  C1y C    17.7147  -17.5868
            45  O2x O    16.3893  -16.2614
            46  O1a O    16.5985  -19.6099
            47  N1y N    22.2491  -17.6566
            48  C1x C    22.2491  -16.3312
            49  C1x C    20.0168  -16.3312
            50  C1a C    23.6491  -17.6566
            51  O2a O    16.5985  -13.0524
            52  C1a C    15.4127  -13.6802
BOND        56
            1    24  25 2
            2    24  26 2
            3    24  27 1
            4    24  28 1
            5     2   3 1
            6     2   4 1
            7     2   5 1
            8     2   6 1 #Up
            9     3   7 2
            10    3   8 1
            11    4   9 1
            12    4  10 1
            13    5  11 1 #Down
            14    5  12 1
            15    6  13 1
            16    7  14 1
            17    8  15 1
            18    8  16 2
            19    9  17 1 #Up
            20   10  18 2
            21   12  19 1 #Down
            22   14  20 2
            23   14  21 1
            24   21  22 1
            25    7  11 1
            26    9  15 1
            27   12  18 1
            28   13  17 1
            29   16  20 1
            30   17  23 1
            31   31  32 1
            32   31  40 1
            33   31  44 1
            34   31  49 1 #Up
            35   32  33 2
            36   32  37 1
            37   40  39 1
            38   40  41 1
            39   44  45 1 #Down
            40   44  43 1
            41   49  48 1
            42   33  34 1
            43   37  38 1
            44   37  36 2
            45   39  47 1 #Up
            46   41  42 2
            47   43  46 1 #Down
            48   34  35 2
            49   34  51 1
            50   51  52 1
            51   33  45 1
            52   39  38 1
            53   43  42 1
            54   48  47 1
            55   36  35 1
            56   47  50 1
BRACKET     1    27.7200  -18.9700   27.7200  -17.2900
            1    30.5200  -17.2900   30.5200  -18.9700
            1  3
 ORIGINAL  1    1
 REPEAT    1   30  31
            2    13.4400  -20.3000   13.4400  -12.0400
            2    25.0600  -12.0400   25.0600  -20.3000
            2  2
 ORIGINAL  2    2   3   7  14  20  16   8  15   9   4  10  18  12   5  11  19
            2   23  17  13   6  24  21  22
 REPEAT    2   32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47
            2   48  49  50  51  52  53  54

» Japanese version   » Back

DBGET integrated database retrieval system