Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0FI7B
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| Former ID |
DIB021087
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| Drug Name |
trihydroxycholestane
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| Synonyms |
5beta-Cholestane-3alpha,7alpha,12alpha-triol; Trihydroxycoprostane; 3,7,12-Trihydroxycholestane; 547-96-6; 5-b-Cholestane-3a ,7a ,12a-triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol; 3alpha,7alpha,12alpha-Trihydroxycoprostane; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane; 3,7,12-Trihydroxycoprostane; A,5; A)-cholestane-3,7,12-triol; AC1L4NRJ; 3,7,12-trihydroxycholestane; trihydroxycoprostane; 5beta-cholestane-3alpha,7alpha,12alpha-triol
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C27H48O3
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| Canonical SMILES |
CC(C)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
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| InChI |
1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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| InChIKey |
RIVQQZVHIVNQFH-XJZYBRFWSA-N
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| CAS Number |
CAS 547-96-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:16496
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Pregnane X receptor (NR1I2) | Target Info | Agonist | [3] |
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | |||
| Nuclear Receptors Meta-Pathway | ||||
| Pregnane X Receptor pathway | ||||
| Drug Induction of Bile Acid Pathway | ||||
| Nuclear Receptors | ||||
| 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: 2803). | |||
| REF 2 | 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: 2767). | |||
| REF 3 | Identification of bile acid precursors as endogenous ligands for the nuclear xenobiotic pregnane X receptor. Proc Natl Acad Sci U S A. 2003 Jan 7;100(1):223-8. | |||
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