Delapril

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Delapril
Accession Number
DB13312
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Delapril hydrochloride2SMM3M5ZMH83435-67-0FDJCVHVKXFIEPJ-JCNFZFLDSA-N
Categories
UNII
W77UAL9THI
CAS number
83435-66-9
Weight
Average: 452.551
Monoisotopic: 452.231122138
Chemical Formula
C26H32N2O5
InChI Key
WOUOLAUOZXOLJQ-MBSDFSHPSA-N
InChI
InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/t18-,23-/m0/s1
IUPAC Name
2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]acetic acid
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(O)=O)C1CC2=C(C1)C=CC=C2

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Delapril.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Delapril.
AbacavirThe serum concentration of Abacavir can be decreased when it is combined with Delapril.
AcebutololAcebutolol may increase the hypotensive activities of Delapril.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Delapril.
AcemetacinThe therapeutic efficacy of Delapril can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Acetylsalicylic acid is combined with Delapril.
AlclofenacThe risk or severity of adverse effects can be increased when Alclofenac is combined with Delapril.
AlfuzosinAlfuzosin may increase the hypotensive activities of Delapril.
AliskirenAliskiren may increase the hypotensive, nephrotoxic, and hyperkalemic activities of Delapril.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4514931
ChEBI
135735
ChEMBL
CHEMBL589583
Wikipedia
Delapril
ATC Codes
C09BA12 — Delapril and diureticsC09AA12 — DelaprilC09BB12 — Delapril and manidipine

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00537 mg/mLALOGPS
logP1.69ALOGPS
logP2.17ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.82ChemAxon
pKa (Strongest Basic)5.21ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area95.94 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity124.64 m3·mol-1ChemAxon
Polarizability49.42 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as peptoid-peptide hybrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Peptidomimetics
Sub Class
Peptoid-peptide hybrids
Direct Parent
Peptoid-peptide hybrids
Alternative Parents
Dipeptides / N-acyl-alpha amino acids / Alpha amino acid esters / Alpha amino acid amides / Alanine and derivatives / Indanes / Fatty acid esters / Aralkylamines / Dicarboxylic acids and derivatives / Benzene and substituted derivatives
show 9 more
Substituents
Peptoid/peptide hybrid / Alpha-dipeptide / Alpha-amino acid ester / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Alanine or derivatives / Alpha-amino acid or derivatives / Indane / Fatty acid ester
show 24 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:39 / Updated on August 02, 2018 06:50