KEGG   DRUG: Cholic acid
Entry
D10699                      Drug                                   
Name
Cholic acid (JAN/USAN);
Cholbam (TN)
Product
CHOLBAM (Manchester Pharmaceuticals)
Formula
C24H40O5
Exact mass
408.2876
Mol weight
408.5714
Structure
Simcomp
Class
Gastrointestinal agent
 DG01956  Bile acid preparation
Remark
Same as: C00695
Therapeutic category: 3999
ATC code: A05AA03
Product: D10699<JP/US>
Efficacy
Choleretic, Supplement (bile acid)
  Disease
Peroxisomal Disorders [DS:H00205]
Zellweger spectrum disorder [DS:H01342]
Comment
Bile acid
Treatment of patients with inborn errors of cholesterol and bile acid synthesis and metabolism
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
     A05AA03 Cholic acid
      D10699  Cholic acid (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Cholic Acid
   D10699  Cholic acid (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D10699  Cholic acid (JAN/USAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01956  Bile acid preparation
   D10699  Cholic acid
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    NR1H4 (FXR)
     D10699  Cholic acid (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10699
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10699
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10699
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10699
Other DBs
CAS: 81-25-4
PubChem: 254741660
PDB-CCD: CHD[PDBj]
LinkDB
KCF data

ATOM        29
            1   C1y C    20.3000  -18.6200
            2   C1y C    21.4900  -17.9200
            3   C1y C    19.1100  -17.9200
            4   C1y C    20.3000  -19.9500
            5   C1z C    21.4900  -16.5900
            6   C1x C    23.8000  -17.9200
            7   C1z C    17.9200  -18.6200
            8   C1x C    19.1100  -16.5900
            9   C1x C    19.1100  -20.6500
            10  O1a O    21.4900  -20.8600
            11  C1y C    22.6800  -15.9600
            12  C1y C    20.3000  -15.8900
            13  C1a C    21.4200  -15.2600
            14  C1x C    23.8000  -16.6600
            15  C1y C    17.9200  -19.9500
            16  C1x C    16.8000  -17.9200
            17  C1a C    17.9900  -17.2200
            18  C1c C    22.6800  -14.0000
            19  O1a O    20.3000  -14.5600
            20  C1x C    16.8000  -20.6500
            21  C1x C    15.6100  -18.6200
            22  C1b C    23.8700  -13.3000
            23  C1a C    21.4200  -13.0900
            24  C1y C    15.6100  -19.9500
            25  C1b C    24.9900  -14.0000
            26  O1a O    14.7000  -20.8600
            27  C6a C    26.1800  -13.3700
            28  O6a O    27.3700  -14.0700
            29  O6a O    26.1800  -12.1800
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Down
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    7  17 1 #Up
            17   11  18 1
            18   12  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Down
            23   20  24 1
            24   22  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   27  28 1
            28   27  29 2
            29    8  12 1
            30    9  15 1
            31   11  14 1
            32   21  24 1

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