SACUBITRIL

Search structure
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 17ERJ0MKGI

Structure
InChI Key PYNXFZCZUAOOQC-UTKZUKDTSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Neprilysin inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 23.12
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -22.5--0.92

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
Chagas Cardiomyopathy 3 D002598 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
ST Elevation Myocardial Infarction 3 D000072657 ClinicalTrials
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Cardiomyopathy, Hypertrophic 2 D002312 ClinicalTrials
Aortic Valve Insufficiency 2 D001022 ClinicalTrials
Peripheral Arterial Disease 2 D058729 ClinicalTrials
Essential Hypertension 2 D000075222 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials

Related Entries

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 149709-62-6
ChEBI 134714
ChEMBL CHEMBL3137301
DrugBank DB09292
DrugCentral 5012
EPA CompTox DTXSID20164370
FDA SRS 17ERJ0MKGI
Guide to Pharmacology 7857
PubChem 9811834
SureChEMBL SCHEMBL2707112
ZINC ZINC000003792417
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