NAV

Perindoprilat

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

Identification

Generic Name
Perindoprilat
DrugBank Accession Number
DB14213
Background

The active metabolite of the prodrug Perindopril.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 340.4146
Monoisotopic: 340.199822016
Chemical Formula
C17H28N2O5
Synonyms
  • Perindoprilat
  • Perindoprilate
  • Perindoprilato
  • Perindoprilatum
External IDs
  • BRN 4207072
  • S 9780
  • S-9780
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of Perindoprilat.
AcebutololAcebutolol may increase the hypotensive activities of Perindoprilat.
AceclofenacThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Aceclofenac is combined with Perindoprilat.
AcemetacinThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Acemetacin is combined with Perindoprilat.
Acetylsalicylic acidThe therapeutic efficacy of Perindoprilat can be decreased when used in combination with Acetylsalicylic acid.
Food Interactions
Not Available

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 / L-alpha-amino acids / Indoles and derivatives / Pyrrolidine carboxylic acids / N-acylpyrrolidines / Methyl-branched fatty acids / Heterocyclic fatty acids / Dicarboxylic acids and derivatives / Tertiary carboxylic acid amides
show 8 more
Substituents
Aliphatic heteropolycyclic compound / Alpha-amino acid / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid / Amino acid or derivatives / Azacycle / Branched fatty acid
show 28 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2UV6ZNQ92K
CAS number
95153-31-4
InChI Key
ODAIHABQVKJNIY-PEDHHIEDSA-N
InChI
InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
IUPAC Name
(2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-carboxybutyl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
SMILES
[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(O)=O)[C@@]1([H])CCCC2)C(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0060574
ChemSpider
65017
RxNav
1546400
ChEBI
132041
ChEMBL
CHEMBL1201368
ZINC
ZINC000004217270
PDBe Ligand
X94
PDB Entries
2x94

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility7.2 mg/mLALOGPS
logP-0.08ALOGPS
logP-0.85Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.08Chemaxon
pKa (Strongest Basic)8.06Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area106.94 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity86.18 m3·mol-1Chemaxon
Polarizability35.8 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0005-9231000000-e71ea119bf0251563b61
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-2139000000-08883d8c4c8d4eda21b0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-4f03e3b76af84cb0b83e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9442000000-138b381ded6f16570154
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1921000000-4f129ac27cf263deb87e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-7900000000-e44d8265d33f037d97fc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1900000000-329e6630f9550196999d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-2139000000-08883d8c4c8d4eda21b0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-4f03e3b76af84cb0b83e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9442000000-138b381ded6f16570154
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1921000000-4f129ac27cf263deb87e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-7900000000-e44d8265d33f037d97fc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1900000000-329e6630f9550196999d
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]-190.1584595
predicted
DarkChem Lite v0.1.0
[M-H]-191.6094595
predicted
DarkChem Lite v0.1.0
[M-H]-182.3892
predicted
DeepCCS 1.0 (2019)
[M-H]-190.1584595
predicted
DarkChem Lite v0.1.0
[M-H]-191.6094595
predicted
DarkChem Lite v0.1.0
[M-H]-182.3892
predicted
DeepCCS 1.0 (2019)
[M+H]+190.9139595
predicted
DarkChem Lite v0.1.0
[M+H]+190.6020595
predicted
DarkChem Lite v0.1.0
[M+H]+184.74721
predicted
DeepCCS 1.0 (2019)
[M+H]+190.9139595
predicted
DarkChem Lite v0.1.0
[M+H]+190.6020595
predicted
DarkChem Lite v0.1.0
[M+H]+184.74721
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.7109595
predicted
DarkChem Lite v0.1.0
[M+Na]+190.2767595
predicted
DarkChem Lite v0.1.0
[M+Na]+190.93365
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.7109595
predicted
DarkChem Lite v0.1.0
[M+Na]+190.2767595
predicted
DarkChem Lite v0.1.0
[M+Na]+190.93365
predicted
DeepCCS 1.0 (2019)

Drug created at July 04, 2018 19:54 / Updated at February 21, 2021 18:54