Substrate Report for: Sacubitril
Sacubitril | Type | Pro-Drug |
| | Not A/B H target |
| | Drug |
| | Oxobutanoate |
| Other_Name (7) |
| Chemical_Nomenclature | 4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid |
| Formula | C24H29NO5 |
| CAS_number | 149709-62-6 |
| MW | 411.49 |
| |
| Paper | Hanna_2017_Xenobiotica__1 |
| | Shi_2016_Drug.Metab.Dispos_44_554 |
| | Wang_2017_Drug.Metab.Dispos_45_1149 |
| Comment | 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 |
| CID | 9811834 |
| Family | Carb_B_Chordata |
| InChIKey | PYNXFZCZUAOOQC-UTKZUKDTSA-N |
| CanonicalSMILES | 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 |
| Wikipedia | Sacubitril |
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