Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K1MB
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| Former ID |
DIB019621
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| Drug Name |
PMID7932551C9
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| Synonyms |
(3alpha,5beta,12alpha,17xi)-3-hydroxy-21-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]pregnan-12-yl (2S)-2-methylbutanoate; GTPL3030; BDBM50037255
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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 |
C31H50O6
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| Canonical SMILES |
CCC(C)C(=O)OC1CC2C(CCC3C2(CCC(C3)O)C)C4C1(C(CC4)CCC5CC(CC(=O)O5)O)C
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| InChI |
1S/C31H50O6/c1-5-18(2)29(35)37-27-17-26-24(10-7-20-14-21(32)12-13-30(20,26)3)25-11-8-19(31(25,27)4)6-9-23-15-22(33)16-28(34)36-23/h18-27,32-33H,5-17H2,1-4H3/t18-,19?,20+,21+,22+,23+,24-,25-,26-,27-,30-,31+/m0/s1
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| InChIKey |
CFMOEGAYJQXZMT-UQTJVAAQSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | HMG-CoA reductase (HMGCR) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate) | |||
| Superpathway of cholesterol biosynthesis | ||||
| Mevalonate pathway | ||||
| KEGG Pathway | Terpenoid backbone biosynthesis | |||
| Metabolic pathways | ||||
| Biosynthesis of antibiotics | ||||
| AMPK signaling pathway | ||||
| Bile secretion | ||||
| NetPath Pathway | IL5 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| TSH Signaling Pathway | ||||
| Panther Pathway | Cholesterol biosynthesis | |||
| Pathwhiz Pathway | Steroid Biosynthesis | |||
| WikiPathways | Statin Pathway | |||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
| Activation of Gene Expression by SREBP (SREBF) | ||||
| SREBF and miR33 in cholesterol and lipid homeostasis | ||||
| Integrated Breast Cancer Pathway | ||||
| SREBP signalling | ||||
| Cholesterol Biosynthesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological activity of bile acid-derived HMG-CoA reductase inhibitors. The role of 21-methyl in recognition of HMG-CoA reductase and the ileal bile acid transport system. J Med Chem. 1994 Sep 30;37(20):3240-6. | |||
| 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: 3030). | |||
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