Eprotirome
Tiratricol derivative 1a. Eprotirome is a thyroid hormone analog with hypocholesterolemic properties. It binds Thyroid hormone receptor beta. Eprotirome reduces serum LDL cholesterol levels by increasing hepatic clearance due to increased expression of the hepatic LDL-receptor gene, and also reduces the serum level of Lp(a) lipoprotein. This drug was designed to have minimal uptake in nonhepatic tissues thereby avoiding many of the adverse effects associated with thyroid hormone treatment. It is also a lead compound for search of CFTR-inhibitory-factor_Cif inhibitors Compound 1a (KB2115) in Hvorceny et al 2016 (derivative 1a)
General
Type : Thyroid hormone analogue, Drug, Urea derivative
Chemical_Nomenclature : 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoic acid
Canonical SMILES : CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)O
InChI : InChI=1S\/C18H17Br2NO5\/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25\/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)
InChIKey : VPCSYAVXDAUHLT-UHFFFAOYSA-N
Other name(s) : KB-2115 || UNII-958AQ7B6R1 || CHEMBL2035874 || KB2115
MW : 487.13
Formula : C18H17Br2NO5
CAS_number : 355129-15-6
PubChem : 10299876
UniChem : VPCSYAVXDAUHLT-UHFFFAOYSA-N
Target
Families : Eprotirome ligand of proteins in family
CFTR-inhibitory-factor_Cif
Structure :
5HKB
Protein :
pseae-PA2934
References (1)
| Title : Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa - Kitamura_2016_J.Med.Chem_59_4790 |
| Author(s) : Kitamura S , Hvorecny KL , Niu J , Hammock BD , Madden DR , Morisseau C |
| Ref : Journal of Medicinal Chemistry , 59 :4790 , 2016 |
| Abstract : |
| PubMedSearch : Kitamura_2016_J.Med.Chem_59_4790 |
| PubMedID: 27120257 |
| Gene_locus related to this paper: pseae-PA2934 |