Moexiprilat

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

Identification

Generic Name
Moexiprilat
DrugBank Accession Number
DB14210
Background

The active metabolite of the prodrug Moexipril.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 470.5149
Monoisotopic: 470.205301324
Chemical Formula
C25H30N2O7
Synonyms
  • Moexiprilat
External IDs
  • RS-10029

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AceclofenacThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Aceclofenac is combined with Moexiprilat.
AcemetacinThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Acemetacin is combined with Moexiprilat.
Acetylsalicylic acidThe therapeutic efficacy of Moexiprilat can be decreased when used in combination with Acetylsalicylic acid.
Agrostis gigantea pollenThe risk or severity of adverse effects can be increased when Moexiprilat is combined with Agrostis gigantea pollen.
Agrostis stolonifera pollenThe risk or severity of adverse effects can be increased when Moexiprilat is combined with Agrostis stolonifera pollen.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Moexiprilat hydrochloride54BP281YEW82586-57-0ZVLZMESUJYRKKI-ZAFWUOJLSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
N-acyl-L-alpha-amino acids / Alpha amino acid amides / Tetrahydroisoquinolines / L-alpha-amino acids / Anisoles / Alkyl aryl ethers / Aralkylamines / Dicarboxylic acids and derivatives / Benzene and substituted derivatives / Tertiary carboxylic acid amides
show 8 more
Substituents
Alkyl aryl ether / Alpha-amino acid / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid / Amino acid or derivatives / Anisole / Aralkylamine
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H3753190JS
CAS number
103775-14-0
InChI Key
CMPAGYDKASJORH-YSSFQJQWSA-N
InChI
InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1
IUPAC Name
(3S)-2-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILES
COC1=C(OC)C=C2CN([C@@H](CC2=C1)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O

References

General References
Not Available
ChemSpider
49970
RxNav
1546358
ChEMBL
CHEMBL1201405
ZINC
ZINC000003789196

Clinical Trials

Clinical Trials
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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 Solubility0.0303 mg/mLALOGPS
logP0.89ALOGPS
logP0.074Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)2.91Chemaxon
pKa (Strongest Basic)7.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area125.4 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity123.36 m3·mol-1Chemaxon
Polarizability49.53 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-1390300000-fa4889302f9a101e795b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ul-0491500000-ec0d026a4737117523ef
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ldv-0416900000-93134bbe53ec7959c01d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0767900000-6d8c4dcf0e73c0ce44c8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fbi-0796400000-a964017ec8974243fead
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0103-2892100000-2d7190c6237fe7af5e06
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-1973000000-808dfafbf99983a4de22
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ul-0491500000-ec0d026a4737117523ef
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ldv-0416900000-93134bbe53ec7959c01d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0767900000-6d8c4dcf0e73c0ce44c8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fbi-0796400000-a964017ec8974243fead
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0103-2892100000-2d7190c6237fe7af5e06
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-1973000000-808dfafbf99983a4de22
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-215.6959395
predicted
DarkChem Lite v0.1.0
[M-H]-195.37106
predicted
DeepCCS 1.0 (2019)
[M-H]-215.6959395
predicted
DarkChem Lite v0.1.0
[M-H]-195.37106
predicted
DeepCCS 1.0 (2019)
[M+H]+214.0934395
predicted
DarkChem Lite v0.1.0
[M+H]+197.76662
predicted
DeepCCS 1.0 (2019)
[M+H]+214.0934395
predicted
DarkChem Lite v0.1.0
[M+H]+197.76662
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.1190395
predicted
DarkChem Lite v0.1.0
[M+Na]+203.65184
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.1190395
predicted
DarkChem Lite v0.1.0
[M+Na]+203.65184
predicted
DeepCCS 1.0 (2019)

Drug created at July 04, 2018 18:01 / Updated at February 21, 2021 18:54