Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00DLU
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| Former ID |
DNC008969
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| Drug Name |
GSK-9772
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| Synonyms |
GSK-9772; CHEMBL493241; 928035-84-1; GSK9772; 4-[[Butyl[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]methyl]-2,6-dichlorophenol; 4-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}amino)methyl]-2,6-dichlorophenol; SCHEMBL4629551; GTPL8693; GSK 9772; BDBM50252940; ZINC34946707; KB-71932
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C20H19Cl2F6NO2
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| Canonical SMILES |
CCCCN(CC1=CC(=C(C(=C1)Cl)O)Cl)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
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| InChI |
1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3
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| InChIKey |
TYYLMKBOWXDDCT-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Oxysterols receptor LXR-alpha (NR1H3) | Target Info | Inhibitor | [2] |
| Oxysterols receptor LXR-beta (NR1H2) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | PPAR signaling pathway | |||
| Non-alcoholic fatty liver disease (NAFLD) | ||||
| Hepatitis C | ||||
| Pathway Interaction Database | RXR and RAR heterodimerization with other nuclear receptor | |||
| Reactome | Nuclear Receptor transcription pathway | |||
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | |||
| Nuclear Receptors Meta-Pathway | ||||
| PPAR Alpha Pathway | ||||
| Liver X Receptor Pathway | ||||
| Adipogenesis | ||||
| SREBF and miR33 in cholesterol and lipid homeostasis | ||||
| Nuclear Receptors | ||||
| SREBP signalling | ||||
| 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: 8693). | |||
| REF 2 | Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J Med Chem. 2008 Sep 25;51(18):5758-65. | |||
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