KEGG   DRUG: Difenoxin hydrochloride
Entry
D11583                      Drug                                   
Name
Difenoxin hydrochloride
Formula
C28H28N2O2. HCl
Exact mass
460.1918
Mol weight
460.99
Structure
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Remark
ATC code: A07DA04
Chemical structure group: DG03054
Product (mixture): D02128<US>
Efficacy
Antidiarrheal, Antiperistaltic, Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07D ANTIPROPULSIVES
    A07DA Antipropulsives
     A07DA04 Difenoxin
      D11583  Difenoxin hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG03054  Difenoxin
     D11583  Difenoxin hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D11583  Difenoxin hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG03054  Difenoxin
Other DBs
CAS: 35607-36-4
PubChem: 384585558
LinkDB
KCF data

ATOM        33
            1   C1d C    18.6053  -19.3074
            2   C8y C    17.4820  -20.0095
            3   C8y C    19.7989  -20.0095
            4   C1b C    18.6053  -17.9735
            5   C3b C    17.1310  -18.4649
            6   C8x C    17.4820  -21.3434
            7   C8x C    16.2885  -19.3074
            8   C8x C    19.7989  -21.3434
            9   C8x C    20.9924  -19.3074
            10  C1b C    19.7287  -17.2714
            11  N3a N    15.5864  -17.6224
            12  C8x C    16.2885  -22.0455
            13  C8x C    15.0949  -20.0095
            14  C8x C    20.9924  -22.0455
            15  C8x C    22.1859  -20.0095
            16  N1y N    19.7287  -15.8672
            17  C8x C    15.0949  -21.3434
            18  C8x C    22.1859  -21.3434
            19  C1x C    20.9222  -15.2353
            20  C1x C    18.6053  -15.2353
            21  C1x C    20.9222  -13.8312
            22  C1x C    18.6053  -13.8312
            23  C1z C    19.7287  -13.1993
            24  C6a C    20.9924  -12.4270
            25  C8y C    18.5351  -12.4270
            26  C8x C    18.5351  -11.0229
            27  C8x C    17.2714  -10.3208
            28  C8x C    16.0778  -11.0229
            29  C8x C    16.0778  -12.4270
            30  C8x C    17.2714  -13.1993
            31  O6a O    22.1859  -13.1993
            32  O6a O    20.9924  -11.0229
            33  X   Cl   22.9600  -17.7100
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 2
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 3
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   10  16 1
            16   12  17 1
            17   14  18 2
            18   16  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   13  17 2
            24   15  18 1
            25   22  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   24  31 1
            35   24  32 2

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