KEGG   DRUG: DifenoxinHelp
Entry
D03809                      Drug                                   

Name
Difenoxin (USAN/INN)
Formula
C28H28N2O2
Exact mass
424.2151
Mol weight
424.5341
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Anti-allergic agent
 DG01957  Antidiarrheal
Remark
Same as: C07871
ATC code: A07DA04
Efficacy
Antidiarrheal, Antiperistaltic, Opioid receptor agonist
Comment
Component of Motofen (TN)
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug 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
      D03809  Difenoxin (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03809  Difenoxin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 28782-42-5
PubChem: 17397897
ChEBI: 4534
ChEMBL: CHEMBL1201321
DrugBank: DB01501
LigandBox: D03809
NIKKAJI: J21.376D
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1d C    28.1731  -18.1265
            2   C8y C    26.9966  -18.8122
            3   C8y C    29.3497  -18.8182
            4   C1b C    28.1092  -16.7665
            5   C3b C    26.6536  -17.2926
            6   C8x C    26.9966  -20.1721
            7   C8x C    25.8201  -18.1265
            8   C8x C    29.3438  -20.1721
            9   C8x C    30.5322  -18.1265
            10  C1b C    29.2857  -16.0867
            11  N3a N    25.1048  -16.4591
            12  C8x C    25.8201  -20.8520
            13  C8x C    24.6436  -18.8122
            14  C8x C    30.5262  -20.8520
            15  C8x C    31.7026  -18.8182
            16  N1y N    29.2857  -14.7268
            17  C8x C    24.6436  -20.1721
            18  C8x C    31.7026  -20.1779
            19  C1x C    30.4681  -14.0586
            20  C1x C    28.1092  -14.0586
            21  C1x C    30.4681  -12.6930
            22  C1x C    28.1092  -12.6930
            23  C1z C    29.2857  -12.0072
            24  C6a C    30.5165  -11.2965
            25  C8y C    28.0548  -11.2965
            26  C8x C    28.0548   -9.8762
            27  C8x C    26.8239   -9.1655
            28  C8x C    25.5930   -9.8762
            29  C8x C    25.5930  -11.2965
            30  C8x C    26.8239  -12.0072
            31  O6a O    31.7450  -12.0057
            32  O6a O    30.5165   -9.8759
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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