KEGG   DRUG: LubiprostoneHelp
Entry
D04790                      Drug                                   

Name
Lubiprostone (JAN/USAN/INN);
Amitiza (TN)
Product
Formula
C20H32F2O5
Exact mass
390.2218
Mol weight
390.4619
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01770  Laxative
Remark
Same as: C13707
Therapeutic category: 2359
ATC code: A06AX03
Product: D04790<JP/US>
Efficacy
Peristaltic accelerator, Softener, Clc chloride channel inhibitor
Comment
CAS Registry number (136790-76-6) are given for the tautomeric monocyclic isomer
Prostaglandin E1 derivative
Treatment of constipation and bowel preparation
Target
CLCN2 [HSA:1181] [KO:K05011]
  Pathway
hsa04978  Mineral absorption
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AX Other drugs for constipation
     A06AX03 Lubiprostone
      D04790  Lubiprostone (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Irritable Bowel Syndrome Agents
   Lubiprostone
    D04790  Lubiprostone (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   235  Purgatives, clysters
    2359  Others
     D04790  Lubiprostone (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Other ion channels
   Chloride channel
    CLCN2
     D04790  Lubiprostone (JAN/USAN/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D04790
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D04790
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04790
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04790
BRITE hierarchy
Other DBs
CAS: 333963-40-9
PubChem: 47206600
ChEBI: 34945
ChEMBL: CHEMBL1201134
DrugBank: DB01046
LigandBox: D04790
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    18.4041  -16.3779
            2   C5x C    18.4041  -17.7775
            3   C1x C    19.7352  -18.2099
            4   C1y C    20.5579  -17.0777
            5   C1y C    19.7352  -15.9454
            6   C1b C    17.1921  -15.6781
            7   C1b C    15.9800  -16.3779
            8   O5x O    17.1921  -18.4772
            9   O2x O    21.9575  -17.0777
            10  C1z C    22.6611  -15.8588
            11  C1x C    21.9767  -14.6739
            12  C1x C    20.5737  -14.6741
            13  C1b C    14.7492  -15.6671
            14  C1b C    13.5444  -16.3625
            15  C1b C    12.3624  -15.6799
            16  C1b C    11.1688  -16.3691
            17  C6a C     9.9813  -15.6833
            18  O6a O     8.7905  -16.3708
            19  O6a O     9.9813  -14.2787
            20  O1a O    23.6507  -16.8484
            21  C1d C    23.6507  -14.8692
            22  C1b C    24.8628  -15.5690
            23  C1b C    26.0749  -14.8692
            24  C1b C    27.2870  -15.5690
            25  C1a C    28.4990  -14.8692
            26  X   F    24.6404  -13.8795
            27  X   F    22.6611  -13.8795
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     6   7 1
            8     2   8 2
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12   5 1
            14    7  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   10  20 1 #Up
            22   10  21 1 #Down
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   21  26 1
            28   21  27 1

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