Sacubitril
Sacubitril is a prodrug that is activated to sacubitrilat (LBQ657) by de-ethylation via CES1. Sacubitrilat inhibits the enzyme neprilysin, which is responsible for the degradation of atrial and brain natriuretic peptide and is used to reduce the risk of cardiovascular events in patients with chronic heart failure
General
Type : Pro-Drug, Not A\/B H target, Drug, Oxobutanoate
Chemical_Nomenclature : 4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
Canonical SMILES : CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
InChI : InChI=1S\/C24H29NO5\/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19\/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)\/t17-,21+\/m1\/s1
InChIKey : PYNXFZCZUAOOQC-UTKZUKDTSA-N
Other name(s) : AHU-377 || AHU377 || UNII-17ERJ0MKGI || AHU 377 || LCZ 696 || LCZ-696 || Entresto
MW : 411.49
Formula : C24H29NO5
CAS_number : 149709-62-6
PubChem : 9811834
UniChem : PYNXFZCZUAOOQC-UTKZUKDTSA-N
Wikipedia : Sacubitril
Target
Structures : No structure
Families : Carb_B_Chordata
References (3)
| Title : A Comprehensive Functional Assessment of Carboxylesterase 1 Nonsynonymous Polymorphisms - Wang_2017_Drug.Metab.Dispos_45_1149 |
| Author(s) : Wang X , Rida N , Shi J , Wu AH , Bleske BE , Zhu HJ |
| Ref : Drug Metabolism & Disposition: The Biological Fate of Chemicals , 45 :1149 , 2017 |
| Abstract : |
| PubMedSearch : Wang_2017_Drug.Metab.Dispos_45_1149 |
| PubMedID: 28838926 |
| Gene_locus related to this paper: human-CES1 |
| Title : Transport properties of valsartan, sacubitril and its active metabolite (LBQ657) as determinants of disposition - Hanna_2017_Xenobiotica__1 |
| Author(s) : Hanna I , Alexander N , Crouthamel MH , Davis J , Natrillo A , Tran P , Vapurcuyan A , Zhu B |
| Ref : Xenobiotica , :1 , 2017 |
| Abstract : |
| PubMedSearch : Hanna_2017_Xenobiotica__1 |
| PubMedID: 28281384 |
| Title : Sacubitril Is Selectively Activated by Carboxylesterase 1 (CES1) in the Liver and the Activation Is Affected by CES1 Genetic Variation - Shi_2016_Drug.Metab.Dispos_44_554 |
| Author(s) : Shi J , Wang X , Nguyen J , Wu AH , Bleske BE , Zhu HJ |
| Ref : Drug Metabolism & Disposition: The Biological Fate of Chemicals , 44 :554 , 2016 |
| Abstract : |
| PubMedSearch : Shi_2016_Drug.Metab.Dispos_44_554 |
| PubMedID: 26817948 |
| Gene_locus related to this paper: human-CES1 |