KEGG   DRUG: Ursodiol
Entry
D00734                      Drug                                   
Name
Ursodiol (USP);
Ursodeoxycholic acid (JP18/INN);
Actigall (TN);
Urso (TN)
Product
URSODIOL (Allergan)
  Generic
URSODIOL (Actavis Pharma), URSODIOL (Actavis Pharma), URSODIOL (American Health Packaging), URSODIOL (American Health Packaging), URSODIOL (Amneal Pharmaceuticals NY LLC), URSODIOL (Aurobindo Pharma Limited), URSODIOL (AvKARE), URSODIOL (AvKARE), URSODIOL (AvPAK), URSODIOL (BluePoint Laboratories), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Bryant Ranch Prepack), URSODIOL (Chartwell RX), URSODIOL (Epic Pharma), URSODIOL (Eywa Pharma), URSODIOL (FH2 Pharma LLC), URSODIOL (Glenmark Pharmaceuticals), URSODIOL (Golden State Medical Supply), URSODIOL (Intra-Sana Laboratories), URSODIOL (KVK-Tech), URSODIOL (Lannett Company), URSODIOL (Laurus Labs Limited), URSODIOL (Major Pharmaceuticals), URSODIOL (Major Pharmaceuticals), URSODIOL (PD-Rx Pharmaceuticals), URSODIOL (PD-Rx Pharmaceuticals), URSODIOL (Par Pharmaceutical), URSODIOL (PuraCap Laboratories), URSODIOL (PuraCap Laboratories), URSODIOL (Rising Pharma Holdings), URSODIOL (Strides Pharma Science Limited), URSODIOL (Strides Pharma Science Limited), URSODIOL (TAGI Pharma), URSODIOL (VGYAAN Pharmaceuticals LLC), URSODIOL (Zydus Lifesciences Limited), URSODIOL (Zydus Lifesciences Limited), URSODIOL (Zydus Pharmaceuticals (USA)), URSODIOL (Zydus Pharmaceuticals (USA))
Formula
C24H40O4
Exact mass
392.2927
Mol weight
392.572
Structure
Simcomp
Class
Gastrointestinal agent
 DG01956  Bile acid preparation
Remark
Same as: C07880
Therapeutic category: 2362
ATC code: A05AA02
Product: D00734<JP/US>
Efficacy
Anticholelithogenic, Choleretic
  Disease
Primary biliary cirrhosis [DS:H01467]
Comment
Bile acid
Target
NR1H4 (FXR) [HSA:9971] [KO:K08537]
  Pathway
hsa04976  Bile secretion
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A05 BILE AND LIVER THERAPY
   A05A BILE THERAPY
    A05AA Bile acids and derivatives
     A05AA02 Ursodeoxycholic acid
      D00734  Ursodiol (USP) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Ursodiol
    D00734  Ursodiol (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   236  Cholagogues
    2362  Bile acids
     D00734  Ursodiol (USP); Ursodeoxycholic acid (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  11 Stomachics
   D00734  Ursodiol (USP)
  13 Digestives
   D00734  Ursodiol (USP)
  14 Two or more combinations from antacids, stomachics, digestives, and intestinal regulators
   D00734  Ursodiol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ursodeoxycholic acid
    D00734  Ursodiol (USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01956  Bile acid preparation
   D00734  Ursodiol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    NR1H4 (FXR)
     D00734  Ursodiol (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00734  Ursodeoxycholic acid
  D00734  Ursodeoxycholic acid tablets
  D00734  Ursodeoxycholic acid granules
Other DBs
CAS: 128-13-2
PubChem: 7847799
ChEBI: 9907
LigandBox: D00734
NIKKAJI: J2.520H
KCF data

ATOM        28
            1   C1x C     7.0700  -14.9100
            2   C1y C     7.0700  -16.3100
            3   C1x C     8.2824  -17.0100
            4   C1y C     9.4949  -16.3100
            5   C1z C     9.4949  -14.9100
            6   C1x C     8.2824  -14.2100
            7   C1x C    10.7073  -17.0100
            8   C1y C    11.9197  -16.3100
            9   C1y C    11.9197  -14.9100
            10  C1y C    10.7073  -14.2100
            11  C1y C    13.1322  -14.2100
            12  C1z C    13.1322  -12.8100
            13  C1x C    11.9197  -12.1100
            14  C1x C    10.7073  -12.8100
            15  C1x C    15.5570  -14.2100
            16  C1x C    15.5570  -12.8100
            17  C1y C    14.3446  -12.1100
            18  C1a C     9.4949  -13.5100
            19  O1a O    13.1173  -17.0015
            20  C1a C    13.1322  -11.4100
            21  C1c C    14.3446  -10.7100
            22  O1a O     5.8576  -17.0100
            23  C1a C    13.1362  -10.0123
            24  C1b C    15.5611  -10.0077
            25  C1b C    16.7586  -10.6992
            26  C6a C    17.9449  -10.0143
            27  O6a O    19.1367  -10.7026
            28  O6a O    17.9451   -8.6102
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    5  18 1 #Up
            22    8  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1 #Up
            25    2  22 1 #Down
            26   21  23 1 #Down
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 2

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Ontology (8)   
   KEGG BRITE (8)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (20)   

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