Zofenoprilat (CED0017120)

Record Information

Version

1.0

Creation Date

2026-04-05 11:37:07 UTC

Update Date

2026-05-14 18:59:31 UTC

SynCED ID

CED0017120

Secondary Accession Numbers

CHEM100350

Identification

Common Name

Zofenoprilat

Class

Small Molecule

Description

Zofenoprilat is an organic compound with the formula C15H19NO3S2 and an average molecular weight of 325.44 g/mol. Zofenoprilat belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. Regarding its biological activity, there is one recorded protein target for this compound, which is cytosol aminopeptidase (LAP3).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Zofenoprilate	ChEBI
Zofenoprilatum	ChEBI
Zofenoprilic acid	Generator

Chemical Formula

C₁₅H₁₉NO₃S₂

Average Molecular Mass

325.440 g/mol

Monoisotopic Mass

325.081 g/mol

CAS Registry Number

75176-37-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1

InChI Identifier

InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1

InChI Key

UQWLOWFDKAFKAP-WXHSDQCUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Proline and derivatives

Alternative Parents

Substituents

N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Proline or derivatives
Aryl thioether
N-acylpyrrolidine
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Thiophenol ether
Alkylarylthioether
Benzenoid
Monocyclic benzene moiety
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Organoheterocyclic compound
Carboxylic acid
Monocarboxylic acid or derivatives
Alkylthiol
Sulfenyl compound
Azacycle
Thioether
Carbonyl group
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

thiol (CHEBI:82602 )
aryl sulfide (CHEBI:82602 )
N-acyl-L-amino acid (CHEBI:82602 )
L-proline derivative (CHEBI:82602 )

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 GC-MS	Predicted GC-MS Spectrum	splash10-0udi-2940000000-02f64f246b1ec9dad484	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00or-0596000000-d64c2dae59b1884dcd42	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ufu-3972000000-83e4a498108f7c9df956	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-5900000000-67a7b416d3d315929c21	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-007p-1194000000-11cd50aa935744439e9a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1940000000-ce692728c7b6a4e5c2db	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1900000000-da7362655fd757f892b2	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2237.0 Log mg/kg [1300:4000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
Oxidative Stress	Has Therapeutic Effect On	Not Available	Not Available	PMC8971584

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

1 pathwayPathway Source: PathBank

Zofenopril Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Angiotensin-converting enzyme	P12822	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.516 Applicability Domain 1.0 Statistical Significance 1.90e-04 Supporting Reference Compounds 26 E-value 1.47914
Click to view 3D structure	Angiotensin-converting enzyme	P47820	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.496 Applicability Domain 1.0 Statistical Significance 1.90e-04 Supporting Reference Compounds 24 E-value 1.47914
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	Prediction Confidence Score 0.414 Applicability Domain 0.542 Statistical Significance 0.0014 Supporting Reference Compounds 46 E-value 10.9767
Click to view 3D structure	Neprilysin	P07861	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.542 Statistical Significance 0.0022 Supporting Reference Compounds 38 E-value 16.8154
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.46 Statistical Significance 0.0069 Supporting Reference Compounds 34 E-value 53.9495
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.46 Statistical Significance 6.00e-05 Supporting Reference Compounds 2 E-value 0.467095
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.46 Statistical Significance 0.0484 Supporting Reference Compounds 331 E-value 376.635
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.358 Statistical Significance 0.0142 Supporting Reference Compounds 51 E-value 110.702
Click to view 3D structure	Leukotriene A-4 hydrolase	P09960	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.46 Statistical Significance 0.0146 Supporting Reference Compounds 51 E-value 113.348
Click to view 3D structure	Renin	P00797	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.46 Statistical Significance 0.0228 Supporting Reference Compounds 59 E-value 177.263
Click to view 3D structure	Endothelin-converting enzyme 1	P42892	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.46 Statistical Significance 0.0163 Supporting Reference Compounds 31 E-value 127.206
Click to view 3D structure	Angiotensin-converting enzyme	P09470	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.354 Statistical Significance 0.0054 Supporting Reference Compounds 4 E-value 41.9607
Click to view 3D structure	Angiotensin-converting enzyme 2	Q5EGZ1	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.354 Statistical Significance 0.0037 Supporting Reference Compounds 2 E-value 28.8042
Click to view 3D structure	Beta-lactamase	Q9K2N0	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.46 Statistical Significance 7.10e-04 Supporting Reference Compounds 8 E-value 5.52729
Click to view 3D structure	Leukotriene A-4 hydrolase	P19602	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.258 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 2 E-value 10.1982
Click to view 3D structure	Prothrombin	P00735	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.273 Low confidence Statistical Significance 0.0439 Supporting Reference Compounds 73 E-value 341.447
Click to view 3D structure	Xaa-Pro aminopeptidase 2	O43895	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.262 Low confidence Statistical Significance 0.0099 Supporting Reference Compounds 7 E-value 77.1486
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.282 Low confidence Statistical Significance 0.2698 Supporting Reference Compounds 527 E-value 2100.45
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.25 Low confidence Statistical Significance 0.0186 Supporting Reference Compounds 55 E-value 144.644
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.262 Low confidence Statistical Significance 0.0305 Supporting Reference Compounds 18 E-value 237.362
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.25 Low confidence Statistical Significance 0.2165 Supporting Reference Compounds 385 E-value 1685.28
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.25 Low confidence Statistical Significance 0.153 Supporting Reference Compounds 266 E-value 1191.17
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.25 Low confidence Statistical Significance 0.2093 Supporting Reference Compounds 373 E-value 1629.23
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.25 Low confidence Statistical Significance 0.1734 Supporting Reference Compounds 310 E-value 1350.29
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.282 Low confidence Statistical Significance 0.1067 Supporting Reference Compounds 229 E-value 830.651