SACUBITRIL

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Synonyms
Status
Molecule Category Free-form
UNII 17ERJ0MKGI
EPA CompTox DTXSID20164370

Structure

InChI Key PYNXFZCZUAOOQC-UTKZUKDTSA-N
Smiles CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)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

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29NO5
Molecular Weight 411.5
AlogP 3.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 92.7
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Neprilysin inhibitor INHIBITOR FDA

Target Conservation

Protein: Neprilysin
Description: Neprilysin
Organism : Homo sapiens
P08473 ENSG00000196549

Cross References

Resources Reference
ChEBI 134714
ChEMBL CHEMBL3137301
DrugBank DB09292
DrugCentral 5012
FDA SRS 17ERJ0MKGI
Guide to Pharmacology 7857
PubChem 9811834
SureChEMBL SCHEMBL2707112
ZINC ZINC000003792417
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