Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09NTG
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| Former ID |
DNC003471
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| Drug Name |
Taurocholic Acid
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| Synonyms |
Taurocholic acid; TAUROCHOLIC ACID; Taurocholate; Cholyltaurine; Cholaic acid; N-Choloyltaurine; Cholic acid taurine conjugate; 81-24-3; Taurine, N-choloyl-; Acidum cholatauricum; Taurine Cholate; UNII-5E090O0G3Z; HSDB 832; C26H45NO7S; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine; NSC25505; EINECS 201-336-2; NSC 25505; Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-; 2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid; [3H]taurocholic acid
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| Drug Type |
Small molecular drug
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| Indication | Type-2 diabetes [ICD-11: 5A11; ICD-9: 250] | Phase 1/2 | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C26H45NO7S
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| Canonical SMILES |
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
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| InChI |
1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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| InChIKey |
WBWWGRHZICKQGZ-HZAMXZRMSA-N
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| CAS Number |
CAS 81-24-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
86672, 605316, 828139, 841389, 4266393, 8138084, 8154316, 14717827, 15805741, 17422067, 29225628, 47439969, 49748546, 50065243, 50397873, 53789715, 57323632, 92309274, 93167213, 103512877, 104312745, 119526221, 125311155, 125311164, 134972658, 135750992, 137102321, 137202600, 138724705, 144080928, 160854684, 162224002, 163138205, 164779365, 176484548, 178101267, 178101268, 179323898, 198948969, 224772447, 226395830, 252497719
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| ChEBI ID |
CHEBI:28865
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bile-salt-activated lipase (CEL) | Target Info | Inhibitor | [2] |
| Ileal sodium/bile acid cotransporter (SLC10A2) | Target Info | Modulator | [3] | |
| BioCyc | Triacylglycerol degradation | |||
| KEGG Pathway | Bile secretion | |||
| Reactome | Recycling of bile acids and salts | |||
| WikiPathways | Bile acid and bile salt metabolism | |||
| Lipid digestion, mobilization, and transport | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4547). | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 3 | Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter. Am J Physiol. 1998 Jan;274(1 Pt 1):G157-69. | |||
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