KEGG   DRUG: DiphenoxylateHelp
Entry
D07861                      Drug                                   

Name
Diphenoxylate (INN)
Formula
C30H32N2O2
Exact mass
452.2464
Mol weight
452.5873
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: C07872
ATC code: A07DA01
Chemical structure group: DG00090
Efficacy
Antidiarrheal, Antiperistaltic, Opioid receptor agonist
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
     A07DA01 Diphenoxylate
      D07861  Diphenoxylate (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07861  Diphenoxylate (INN)
BRITE hierarchy
Other DBs
CAS: 915-30-0
PubChem: 96024557
ChEBI: 4639
ChEMBL: CHEMBL1201294
DrugBank: DB01081
LigandBox: D07861
NIKKAJI: J7.167F
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8x C    20.0200  -21.9100
            2   C8x C    20.0200  -23.3100
            3   C8x C    21.2100  -24.0100
            4   C8x C    22.4000  -23.3100
            5   C8y C    22.4000  -21.9100
            6   C8x C    21.2100  -21.2800
            7   C8x C    24.7800  -23.3100
            8   C8y C    24.7800  -21.9100
            9   C1d C    23.5900  -21.2800
            10  C8x C    25.9000  -24.0100
            11  C8x C    27.0900  -23.3100
            12  C8x C    27.0900  -21.9100
            13  C8x C    25.9000  -21.2800
            14  C1b C    23.5900  -19.8800
            15  C1b C    24.7800  -19.1800
            16  C3b C    22.4000  -20.5800
            17  N3a N    21.2100  -19.8800
            18  N1y N    24.7800  -17.8500
            19  C1x C    25.9000  -17.1500
            20  C1x C    25.9000  -15.7500
            21  C1z C    24.7100  -15.1200
            22  C1x C    23.5900  -15.7500
            23  C1x C    23.5900  -17.1500
            24  C7a C    24.7100  -13.7200
            25  O6a O    23.5200  -13.0200
            26  O7a O    25.9000  -13.0200
            27  C8y C    22.5400  -13.8600
            28  C8x C    22.5400  -12.4600
            29  C8x C    21.3500  -11.8300
            30  C8x C    20.1600  -12.4600
            31  C8x C    20.1600  -13.8600
            32  C8x C    21.3500  -14.5600
            33  C1b C    27.0900  -13.7200
            34  C1a C    28.2800  -13.0200
BOND        37
            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     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   15  14 1
            17    9  16 1
            18   16  17 3
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   21  24 1
            27   24  25 2
            28   24  26 1
            29   21  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   26  33 1
            37   33  34 1

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