KEGG   DRUG: EluxadolineHelp
Entry
D10403                      Drug                                   

Name
Eluxadoline (USAN);
Viberzi (TN)
Product
Formula
C32H35N5O5
Exact mass
569.2638
Mol weight
569.6508
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Anti-allergic agent
 DG01957  Antidiarrheal
Analgesic
 DG01586  Opioid receptor antagonist
Remark
ATC code: A07DA06
Product: D10403<US>
Efficacy
Antidiarrheal, Opioid receptor agonist/antagonist
  Disease
Irritable bowel syndrome, with diarrhea [DS:H01615]
Comment
Treatment of diarrhea - predominant irritable bowel syndrome (IBS-d)
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRD1 [HSA:4985] [KO:K04213]
OPRK1 [HSA:4986] [KO:K04214]
  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
     A07DA06 Eluxadoline
      D10403  Eluxadoline (USAN) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Irritable Bowel Syndrome Agents
   Eluxadoline
    D10403  Eluxadoline (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10403  Eluxadoline (USAN) <US>
    OPRK1
     D10403  Eluxadoline (USAN) <US>
    OPRD1
     D10403  Eluxadoline (USAN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10403
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10403
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10403
BRITE hierarchy
Other DBs
CAS: 864821-90-9
PubChem: 172232496
ChEBI: 85980
ChEMBL: CHEMBL2159122
LinkDB All DBs
KCF data Show

ATOM        42
            1   C8x C    11.5500  -19.4600
            2   C8y C    11.5500  -20.8600
            3   C8x C    12.7624  -21.5600
            4   C8y C    13.9749  -20.8600
            5   C8y C    13.9749  -19.4600
            6   C8y C    12.7624  -18.7600
            7   C5a C    10.3376  -21.5600
            8   N1a N     9.1421  -20.8696
            9   O5a O    10.3375  -22.9598
            10  C1a C    12.7624  -17.3602
            11  C1b C    15.2060  -18.7490
            12  C1c C    16.4112  -19.4447
            13  C1a C    15.2060  -21.5710
            14  C5a C    17.5935  -18.7619
            15  N1c N    18.7875  -19.4512
            16  C1b C    18.7877  -20.8597
            17  C8y C    19.9794  -21.5478
            18  C8x C    19.9796  -22.9597
            19  C8x C    21.1922  -23.6595
            20  C8y C    22.4045  -22.9593
            21  C8y C    22.4043  -21.5474
            22  C8x C    21.1917  -20.8476
            23  C6a C    23.6079  -20.8523
            24  O2a O    23.6140  -23.6573
            25  O6a O    24.8102  -21.5464
            26  O6a O    23.6077  -19.4601
            27  C1a C    24.8071  -22.9681
            28  O5a O    17.5935  -17.3602
            29  N1a N    16.4116  -20.8596
            30  C1c C    19.9754  -18.7651
            31  C1a C    21.1666  -19.4528
            32  C8y C    19.9753  -17.3602
            33  N4x N    21.0912  -16.5491
            34  C8x C    20.6647  -15.2371
            35  C8y C    19.2851  -15.2374
            36  N5x N    18.8590  -16.5495
            37  C8y C    18.4851  -14.1362
            38  C8x C    19.0524  -12.8624
            39  C8x C    18.2296  -11.7297
            40  C8x C    16.8372  -11.8759
            41  C8x C    16.2700  -13.1497
            42  C8x C    17.0928  -14.2824
BOND        45
            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     2   7 1
            8     7   8 1
            9     7   9 2
            10    6  10 1
            11    5  11 1
            12   11  12 1
            13    4  13 1
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   17  22 1
            24   21  23 1
            25   20  24 1
            26   23  25 1
            27   23  26 2
            28   24  27 1
            29   14  28 2
            30   12  29 1 #Up
            31   15  30 1
            32   30  31 1 #Down
            33   30  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   32  36 2
            39   35  37 1
            40   37  38 2
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   37  42 1

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