Sacubitril (CED0003235)

Record Information

Version

1.0

Creation Date

2026-04-05 11:37:44 UTC

Update Date

2026-08-22 03:47:21 UTC

Accession Number

CHEM100365

Identification

Common Name

Sacubitril

Class

Small Molecule

Description

Sacubitril is an organic compound with the formula C24H29NO5 and an average molecular weight of 411.50 g/mol. Sacubitril belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is utilized in healthcare, pharmaceuticals, and veterinary products as an angiotensin II receptor blocker (ARB) and is administered via the oral exposure route. In terms of protein targets, it acts as an inhibitor and antagonist of neprilysin (MME).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₂₉NO₅

Average Molecular Mass

411.498 g/mol

Monoisotopic Mass

411.205 g/mol

CAS Registry Number

149709-62-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O

InChI Identifier

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

InChI Key

PYNXFZCZUAOOQC-UTKZUKDTSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0019200000-b4572a75ed510cd19220	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-2249000000-b3a447f3ac5fce98f6ad	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-024l-8492000000-de64f862fbf7c9e9a455	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1207900000-1be4e6db0795c8f84ba5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-3219200000-d5da9874b4ba889c8247	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00lu-9351000000-c875ab184b7ae6beb8f1	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6672.0	Log mg/kg	[3800:12000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
296	Angiotensin ii receptor blockers (arbs)	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Sacubitril Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Membrane metallo-endopeptidase-like 1	Q495T6	Humans	Predicted (SEA)	0.544945
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	Histone deacetylase 6	Q99P97	Rattus norvegicus	Predicted (SEA)	7.55137
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	95.8324
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	55.1951
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	33.7087
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	54.5723
Click to view 3D structure	Stromelysin-2	P09238	Humans	Predicted (SEA)	8.79696
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	65.3155
Click to view 3D structure	Histone deacetylase 1	Q4QQW4	Rattus norvegicus	Predicted (SEA)	2.49118
Click to view 3D structure	Neprilysin	P07861	Rattus norvegicus	Predicted (SEA)	16.0369
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	6.61718
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	136.158
Click to view 3D structure	Serine racemase	Q9GZT4	Humans	Predicted (SEA)	2.49118
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	36.5891
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	138.26
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	71.777
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	115.684
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	35.5771
Click to view 3D structure	Calpain-2 catalytic subunit	Q27971	Bos taurus	Predicted (SEA)	42.5057
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	91.7842
Click to view 3D structure	Angiotensin-converting enzyme 2	Q9BYF1	Humans	Predicted (SEA)	55.8179
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	115.995
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	3.19182
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	82.8316