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Substrate Report for: Sacubitril

Name Class
SacubitrilTypePro-Drug
Not A/B H target
Drug
Oxobutanoate
Other_Name (7)
Chemical_Nomenclature4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
FormulaC24H29NO5
CAS_number149709-62-6
MW411.49
PaperHanna_2017_Xenobiotica__1
Shi_2016_Drug.Metab.Dispos_44_554
Wang_2017_Drug.Metab.Dispos_45_1149
CommentSacubitril 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
CID9811834
FamilyCarb_B_Chordata
InChIKeyPYNXFZCZUAOOQC-UTKZUKDTSA-N
CanonicalSMILESCCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
InChIInChI=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
WikipediaSacubitril

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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