KEGG   DRUG: DextropropoxypheneHelp
Entry
D07809                      Drug                                   

Name
Dextropropoxyphene (INN);
Propoxypene
Formula
C22H29NO2
Exact mass
339.2198
Mol weight
339.4712
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Same as: C07406
ATC code: N02AC04
Chemical structure group: DG00818
Product (DG00818): D00482<US>
Efficacy
Analgesic, Opioid receptor agonist
Comment
Diphenylpropylamine derivative
semi-synthetic opioids
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
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
    N02AC Diphenylpropylamine derivatives
     N02AC04 Dextropropoxyphene
      D07809  Dextropropoxyphene (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07809  Dextropropoxyphene (INN)
BRITE hierarchy
Other DBs
CAS: 469-62-5
PubChem: 96024506
ChEBI: 51173
ChEMBL: CHEMBL1201790 CHEMBL1213351
DrugBank: DB00647
LigandBox: D07809
NIKKAJI: J5.928E
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    15.7997  -19.1502
            2   C8x C    16.4991  -20.4090
            3   C8x C    17.8977  -20.4090
            4   C8x C    18.5970  -19.1502
            5   C8y C    17.8977  -17.9613
            6   C8x C    16.4991  -17.9613
            7   C8x C    19.9957  -19.1502
            8   C8y C    20.6950  -17.9613
            9   C1b C    19.9957  -16.7726
            10  C1d C    18.5970  -16.7726
            11  C8x C    20.6950  -20.4090
            12  C8x C    22.0937  -20.4090
            13  C8x C    22.7930  -19.1502
            14  C8x C    22.0937  -17.9613
            15  O7a O    17.8977  -15.5837
            16  C7a C    16.4991  -15.5837
            17  C1b C    15.7997  -14.3949
            18  C1a C    14.4011  -14.3949
            19  O6a O    15.7997  -16.7726
            20  C1c C    19.2964  -15.5138
            21  C1a C    20.6950  -15.5138
            22  C1b C    18.5970  -14.3249
            23  N1c N    19.2964  -13.1361
            24  C1a C    20.6950  -13.1361
            25  C1a C    18.5970  -11.8773
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9    10   9 1 #Down
            10   10   5 1 #Up
            11    7  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    8  14 2
            16   10  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   16  19 2
            21   10  20 1
            22   20  21 1 #Up
            23   20  22 1
            24   22  23 1
            25   23  24 1
            26   23  25 1

» Japanese version   » Back

KEGG   DRUG: Propoxyphene hydrochlorideHelp
Entry
D00482                      Drug                                   

Name
Propoxyphene hydrochloride (USAN);
Dextropropoxyphene hydrochloride;
Darvon (TN)
Product
  Generic
Formula
C22H29NO2. HCl
Exact mass
375.1965
Mol weight
375.9321
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
ATC code: N02AC04
Chemical structure group: DG00818
Product (DG00818): D00482<US>
Efficacy
Analgesic, Opioid receptor agonist
Comment
Diphenylpropylamine derivative
Propoxyphene is called Dextropropoxyphene in INN.
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
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
    N02AC Diphenylpropylamine derivatives
     N02AC04 Dextropropoxyphene
      D00482  Propoxyphene hydrochloride (USAN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00482  Propoxyphene hydrochloride (USAN) <US>
BRITE hierarchy
Other DBs
CAS: 1639-60-7
PubChem: 7847548
ChEBI: 8498
ChEMBL: CHEMBL1237104 CHEMBL1864323
DrugBank: DB00647
LigandBox: D00482
NIKKAJI: J388.905J
LinkDB All DBs
KCF data Show

ATOM        26
            1   X   Cl   23.9038  -16.2708
            2   C8x C    14.7259  -19.2286
            3   C8x C    15.4238  -20.4397
            4   C8x C    16.8216  -20.4408
            5   C8x C    17.5215  -19.2309
            6   C8y C    16.8236  -18.0198
            7   C8x C    15.4258  -18.0187
            8   C8x C    18.9192  -19.2320
            9   C8y C    19.6191  -18.0220
            10  C1b C    18.9211  -16.8109
            11  C1d C    17.5234  -16.8098
            12  C8x C    19.6171  -20.4430
            13  C8x C    21.0149  -20.4441
            14  C8x C    21.7148  -19.2342
            15  C8x C    21.0169  -18.0231
            16  O7a O    16.8395  -15.6226
            17  C7a C    15.4474  -15.6215
            18  O6a O    14.7386  -16.8466
            19  C1b C    14.7583  -14.4256
            20  C1a C    13.3509  -14.4243
            21  C1c C    18.2223  -15.5994
            22  C1a C    19.6403  -15.5998
            23  C1b C    17.5168  -14.3775
            24  N1c N    18.2193  -13.1601
            25  C1a C    19.6402  -13.1603
            26  C1a C    17.5113  -11.9347
BOND        26
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     8   9 1
            8     9  10 1
            9    11  10 1 #Down
            10   11   6 1 #Up
            11    8  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15    9  15 2
            16   11  16 1
            17   16  17 1
            18   17  18 2
            19   17  19 1
            20   19  20 1
            21   11  21 1
            22   21  22 1 #Up
            23   21  23 1
            24   23  24 1
            25   24  25 1
            26   24  26 1

» Japanese version   » Back

KEGG   DRUG: Propoxyphene napsylateHelp
Entry
D05632                      Drug                                   

Name
Propoxyphene napsylate (USAN);
Darvon-N (TN)
Formula
C22H29NO2. C10H8O3S. H2O
Exact mass
565.2498
Mol weight
565.7202
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
ATC code: N02AC04
Chemical structure group: DG00818
Product (DG00818): D00482<US>
Efficacy
Analgesic
Comment
Component of Darvocet (TN)
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
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
    N02AC Diphenylpropylamine derivatives
     N02AC04 Dextropropoxyphene
      D05632  Propoxyphene napsylate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05632  Propoxyphene napsylate (USAN)
BRITE hierarchy
Other DBs
CAS: 26570-10-5
PubChem: 47207294
ChEBI: 51179
ChEMBL: CHEMBL3989716
LigandBox: D05632
LinkDB All DBs
KCF data Show

ATOM        40
            1   C8x C    19.7971  -15.6634
            2   C8x C    19.7971  -17.0592
            3   C8x C    21.0059  -17.7571
            4   C8y C    22.2146  -17.0592
            5   C8y C    22.2146  -15.6634
            6   C8x C    21.0059  -14.9655
            7   C8x C    23.4234  -17.7571
            8   C8x C    24.6322  -17.0592
            9   C8y C    24.6322  -15.6634
            10  C8x C    23.4234  -14.9655
            11  S4a S    25.8261  -14.9739
            12  O1d O    27.0349  -14.2761
            13  O1d O    25.1181  -13.7471
            14  O1d O    26.5133  -16.1646
            15  O0  O    22.8678  -19.6414
            16  C8x C    11.5597  -19.2887
            17  C8x C    12.2574  -20.4748
            18  C8x C    13.6528  -20.4748
            19  C8x C    14.3505  -19.2887
            20  C8y C    13.6528  -18.0329
            21  C8x C    12.2574  -18.0329
            22  C8x C    15.7458  -19.2887
            23  C8y C    16.4435  -18.0329
            24  C1b C    15.7458  -16.8468
            25  C1d C    14.3505  -16.8468
            26  C8x C    16.4435  -20.4748
            27  C8x C    17.8389  -20.4748
            28  C8x C    18.5366  -19.2887
            29  C8x C    17.8389  -18.0329
            30  O7a O    13.7226  -15.6608
            31  C7a C    12.3272  -15.6608
            32  O6a O    11.6295  -16.9166
            33  C1b C    11.6295  -14.4747
            34  C1a C    10.2341  -14.4747
            35  C1c C    15.0482  -15.6608
            36  C1a C    16.5133  -15.6608
            37  C1b C    14.3505  -14.4049
            38  N1c N    15.0482  -13.2189
            39  C1a C    16.5133  -13.2189
            40  C1a C    14.3505  -11.9631
BOND        41
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   11  13 2
            15   11  14 2
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   16  21 1
            22   22  23 1
            23   23  24 1
            24   25  24 1 #Down
            25   25  20 1 #Up
            26   22  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   23  29 2
            31   25  30 1
            32   30  31 1
            33   31  32 2
            34   31  33 1
            35   33  34 1
            36   25  35 1
            37   35  36 1 #Up
            38   35  37 1
            39   37  38 1
            40   38  39 1
            41   38  40 1

» Japanese version   » Back

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