KEGG   DRUG: Codeine
Entry
D00195                      Drug                                   
Name
Codeine (USP);
Codeine hydrate
Formula
C18H21NO3. H2O
Exact mass
317.1627
Mol weight
317.38
Structure
Simcomp
Source
Papaver somniferum [TAX:3469]
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03189  UGT2B4 substrate
  DG03190  UGT2B7 substrate
Remark
ATC code: R05DA04
Chemical structure group: DG01076
Product (DG01076): D02101<JP> D03580<US>
Product (mixture): D11852<US> D11860<US>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Active form of prodrug: Morphine [DR:D08233]
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Other map
map00982  Drug metabolism - cytochrome P450
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
      D00195  Codeine (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Codeine
    D00195  Codeine (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Codeine
    D00195  Codeine (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
     D00195  Codeine
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
    D00195  Codeine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
    D00195  Codeine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
     D00195  Codeine
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
     D00195  Codeine
   DG03190  UGT2B7 substrate
    DG01076  Codeine
     D00195  Codeine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00195  Codeine (USP)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00195
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
   DG03190  UGT2B7 substrate
    DG01076  Codeine
Prodrugs [br08324.html]
 DG01076
Other DBs
CAS: 6059-47-8
PubChem: 7847263
LigandBox: D00195
NIKKAJI: J244.866A
LinkDB
KCF data

ATOM        23
            1   O0  O    32.4662  -13.2509
            2   C1z C    24.7589  -14.6309
            3   C8y C    24.7589  -13.3059
            4   C1y C    25.9444  -15.3282
            5   C1y C    23.6431  -15.2585
            6   C1x C    25.9444  -14.0033
            7   C8y C    23.6431  -12.6783
            8   C8y C    25.9444  -12.6783
            9   C1y C    27.0602  -14.6309
            10  C2x C    25.9444  -16.5835
            11  O2x O    22.3182  -13.9335
            12  C1y C    23.6431  -16.5835
            13  C1x C    28.1759  -14.0033
            14  C8y C    23.6431  -11.3533
            15  C1x C    27.0602  -13.3756
            16  C8x C    25.9444  -11.3533
            17  N1y N    28.1759  -15.3282
            18  C2x C    24.7589  -17.2808
            19  O1a O    22.5274  -17.2808
            20  C8x C    24.8286  -10.7257
            21  O2a O    22.5274  -10.7257
            22  C1a C    21.3419  -11.3533
            23  C1a C    29.5759  -15.3282
BOND        26
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1 #Down
            10    5  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14    8  16 2
            15    9  17 1 #Up
            16   10  18 2
            17   12  19 1 #Down
            18   14  20 2
            19   14  21 1
            20   21  22 1
            21    7  11 1
            22    9  15 1
            23   12  18 1
            24   13  17 1
            25   16  20 1
            26   17  23 1

» Japanese version   » Back

KEGG   DRUG: Codeine phosphate
Entry
D02101                      Drug                                   
Name
Codeine phosphate (USP);
Codeine phosphate hydrate (JP18);
Codeine (TN)
Formula
(C18H21NO3)2. 2H3PO4. H2O
Exact mass
812.2686
Mol weight
812.73
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03189  UGT2B4 substrate
  DG03190  UGT2B7 substrate
Remark
Therapeutic category: 2242 8115
ATC code: R05DA04
Chemical structure group: DG01076
Product (DG01076): D02101<JP> D03580<US>
Product (mixture): D02146<US> D11851<US> D11852<US> D11860<US> D12138<US> D12312<US>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Active form of prodrug: Morphine [DR:D08233]
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
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
     R05DA04 Codeine
      D02101  Codeine phosphate (USP) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Codeine
    D02101  Codeine phosphate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   224  Antitussives and expectorants
    2242  Codeines
     D02101  Codeine phosphate (USP); Codeine phosphate hydrate (JP18)
 8  Narcotics
  81  Alkaloidal narcotics
   811  Opium alkaloids
    8115  Codeines
     D02101  Codeine phosphate (USP); Codeine phosphate hydrate (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  26 Antitussives and expectorants
   D02101  Codeine phosphate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Codeine
    D02101  Codeine phosphate (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Codeine
    D02101  Codeine phosphate (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
     D02101  Codeine phosphate
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
    D02101  Codeine phosphate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
    D02101  Codeine phosphate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
     D02101  Codeine phosphate
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
     D02101  Codeine phosphate
   DG03190  UGT2B7 substrate
    DG01076  Codeine
     D02101  Codeine phosphate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02101  Codeine phosphate (USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02101  Codeine phosphate hydrate
  D02101  Codeine phosphate tablets
  D02101  1% Codeine phosphate powder
  D02101  10% Codeine phosphate powder
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02101
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
   DG03190  UGT2B7 substrate
    DG01076  Codeine
Prodrugs [br08324.html]
 DG01076
Other DBs
CAS: 41444-62-6
PubChem: 7849162
LigandBox: D02101
NIKKAJI: J244.491G
LinkDB
KCF data

ATOM        55
            1   O0  O    29.5066  -18.6348
            2   C1z C    18.0622  -16.8904
            3   C8y C    18.0622  -15.5648
            4   C1y C    19.2482  -17.5881
            5   C1y C    16.9458  -17.5183
            6   C1x C    19.2482  -16.2625
            7   C8y C    16.9458  -14.9368
            8   C8y C    19.2482  -14.9368
            9   C1y C    20.3645  -16.8904
            10  C2x C    19.2482  -18.8439
            11  O2x O    15.6202  -16.1927
            12  C1y C    16.9458  -18.8439
            13  C1x C    21.4808  -16.2625
            14  C8y C    16.9458  -13.6112
            15  C1x C    20.3645  -15.6345
            16  C8x C    19.2482  -13.6112
            17  N1y N    21.4808  -17.5881
            18  C2x C    18.0622  -19.5416
            19  O1a O    15.8295  -19.5416
            20  C8x C    18.1319  -12.9833
            21  O2a O    15.8295  -12.9833
            22  C1a C    14.6435  -13.6112
            23  C1a C    22.8808  -17.5881
            24  P1b P    28.5285  -14.7289
            25  O1c O    28.5285  -13.3335
            26  O1c O    28.5285  -16.1243
            27  O1c O    29.9238  -14.7289
            28  O1c O    27.1331  -14.7289
            29  C1z C    18.0622  -16.8904
            30  C8y C    18.0622  -15.5648
            31  C8y C    16.9458  -14.9368
            32  C8y C    16.9458  -13.6112
            33  C8x C    18.1319  -12.9833
            34  C8x C    19.2482  -13.6112
            35  C8y C    19.2482  -14.9368
            36  C1x C    20.3645  -15.6345
            37  C1y C    20.3645  -16.8904
            38  C1y C    19.2482  -17.5881
            39  C2x C    19.2482  -18.8439
            40  C2x C    18.0622  -19.5416
            41  C1y C    16.9458  -18.8439
            42  C1y C    16.9458  -17.5183
            43  O2x O    15.6202  -16.1927
            44  O1a O    15.8295  -19.5416
            45  N1y N    21.4808  -17.5881
            46  C1x C    21.4808  -16.2625
            47  C1x C    19.2482  -16.2625
            48  C1a C    22.8808  -17.5881
            49  O2a O    15.8295  -12.9833
            50  C1a C    14.6435  -13.6112
            51  P1b P    28.5285  -14.7289
            52  O1c O    28.5285  -13.3335
            53  O1c O    28.5285  -16.1243
            54  O1c O    29.9238  -14.7289
            55  O1c O    27.1331  -14.7289
BOND        60
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1 #Down
            10    5  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14    8  16 2
            15    9  17 1 #Up
            16   10  18 2
            17   12  19 1 #Down
            18   14  20 2
            19   14  21 1
            20   21  22 1
            21    7  11 1
            22    9  15 1
            23   12  18 1
            24   13  17 1
            25   16  20 1
            26   17  23 1
            27   29  30 1
            28   29  38 1
            29   29  42 1
            30   29  47 1 #Up
            31   30  31 2
            32   30  35 1
            33   38  37 1
            34   38  39 1
            35   42  43 1 #Down
            36   42  41 1
            37   47  46 1
            38   31  32 1
            39   35  36 1
            40   35  34 2
            41   37  45 1 #Up
            42   39  40 2
            43   41  44 1 #Down
            44   32  33 2
            45   32  49 1
            46   49  50 1
            47   31  43 1
            48   37  36 1
            49   41  40 1
            50   46  45 1
            51   34  33 1
            52   45  48 1
            53   24  25 2
            54   24  26 1
            55   24  27 1
            56   24  28 1
            57   51  52 2
            58   51  53 1
            59   51  54 1
            60   51  55 1
BRACKET     1    12.7400  -20.3000   12.7400  -12.0400
            1    24.3600  -12.0400   24.3600  -20.3000
            1  2
 ORIGINAL  1    2   3   7  14  20  16   8  15   9   4  10  18  12   5  11  19
            1   23  17  13   6  24  21  22
 REPEAT    1   30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45
            1   46  47  48  49  50  51  52
            2    25.6900  -16.8000   25.6900  -12.6000
            2    31.1500  -12.6000   31.1500  -16.8000
            2  2
 ORIGINAL  2   25  26  27  28  29
 REPEAT    2   53  54  55  56  57

» Japanese version   » Back

KEGG   DRUG: Codeine sulfate
Entry
D03580                      Drug                                   
Name
Codeine sulfate (USP);
Codeine sulfate trihydrate;
Codeine sulfate (TN)
Product
CODEINE SULFATE (Hikma Pharmaceuticals USA)
  Generic
CODEINE SULFATE (Lannett Company)
Formula
(C18H21NO3)2. H2SO4. 3H2O
Exact mass
750.3034
Mol weight
750.85
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03189  UGT2B4 substrate
  DG03190  UGT2B7 substrate
Remark
ATC code: R05DA04
Chemical structure group: DG01076
Product (DG01076): D02101<JP> D03580<US>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Active form of prodrug: Morphine [DR:D08233]
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
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
     R05DA04 Codeine
      D03580  Codeine sulfate (USP) <US>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Codeine
    D03580  Codeine sulfate (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
     D03580  Codeine sulfate
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
    D03580  Codeine sulfate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
    D03580  Codeine sulfate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
     D03580  Codeine sulfate
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
     D03580  Codeine sulfate
   DG03190  UGT2B7 substrate
    DG01076  Codeine
     D03580  Codeine sulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03580  Codeine sulfate (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03580
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D03580
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
   DG03190  UGT2B7 substrate
    DG01076  Codeine
Prodrugs [br08324.html]
 DG01076
Other DBs
CAS: 6854-40-6
PubChem: 47205864
LigandBox: D03580
LinkDB
KCF data

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

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KEGG   DRUG: Codeine hydrochloride
Entry
D07740                      Drug                                   
Name
Codeine hydrochloride;
Bisoltus (TN)
Formula
C18H22NO3. Cl
Exact mass
335.1288
Mol weight
335.82
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03189  UGT2B4 substrate
  DG03190  UGT2B7 substrate
Remark
ATC code: R05DA04
Chemical structure group: DG01076
Product (DG01076): D02101<JP> D03580<US>
Efficacy
Analgesic (narcotic), Antitussive, Narcotic, Opioid receptor agonist
Comment
Opium alkaloid
Active form of prodrug: Morphine [DR:D08233]
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
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
     R05DA04 Codeine
      D07740  Codeine hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
     D07740  Codeine hydrochloride
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
    D07740  Codeine hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
    D07740  Codeine hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
     D07740  Codeine hydrochloride
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
     D07740  Codeine hydrochloride
   DG03190  UGT2B7 substrate
    DG01076  Codeine
     D07740  Codeine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07740  Codeine hydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07740
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01076  Codeine
 Analgesic
  DG01984  Opioid analgesics
   DG01076  Codeine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01076  Codeine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01076  Codeine
  DG02924  UGT substrate
   DG03189  UGT2B4 substrate
    DG01076  Codeine
   DG03190  UGT2B7 substrate
    DG01076  Codeine
Prodrugs [br08324.html]
 DG01076
Other DBs
CAS: 1422-07-7
PubChem: 51092036
LigandBox: D07740
NIKKAJI: J44.373E
LinkDB
KCF data

ATOM        23
            1   C1z C    17.6971  -16.7898
            2   C8y C    17.6971  -15.5305
            3   C1y C    18.8165  -17.4894
            4   C1y C    16.5777  -17.4894
            5   C1x C    18.8865  -16.1602
            6   C8y C    16.5777  -14.8309
            7   C8y C    18.8865  -14.8309
            8   C1y C    20.0058  -16.7898
            9   C2x C    18.8165  -18.7487
            10  O2x O    15.2485  -16.0902
            11  C1y C    16.5777  -18.7487
            12  C1x C    21.1952  -16.1602
            13  C8y C    16.5777  -13.5016
            14  C1x C    20.0058  -15.5305
            15  C8x C    18.8865  -13.5016
            16  N2y N    21.1952  -17.4894 #+
            17  C2x C    17.6971  -19.4483
            18  O1a O    15.4583  -19.4483
            19  C8x C    17.6971  -12.8720
            20  O2a O    15.4583  -12.8720
            21  C1a C    14.3390  -13.5016
            22  C1a C    22.5245  -17.4894
            23  X   Cl   22.9442  -14.2012 #-
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 2
            17   11  18 1 #Down
            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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