Trandolaprilat

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

Identification

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Name
Trandolaprilat
Accession Number
DB14209
Type
Small Molecule
Groups
Experimental
Description

The active metabolite of the prodrug Trandolapril.

Structure
Thumb
Synonyms
  • Trandolapril diacid
  • Trandolaprilate
  • Trandolaprilatum
External IDs
RU 44403
Categories
UNII
RR6866VL0O
CAS number
87679-71-8
Weight
Average: 402.484
Monoisotopic: 402.21547208
Chemical Formula
C22H30N2O5
InChI Key
AHYHTSYNOHNUSH-HXFGRODQSA-N
InChI
InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1
IUPAC Name
(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
SMILES
[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@@]([H])(C[C@@]2([H])CCCC[C@]12[H])C(O)=O

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
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 Trandolaprilat.
AcemetacinThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Acemetacin is combined with Trandolaprilat.
Acetylsalicylic acidThe therapeutic efficacy of Trandolaprilat can be decreased when used in combination with Acetylsalicylic acid.
Agrostis gigantea pollenThe risk or severity of adverse effects can be increased when Trandolaprilat is combined with Agrostis gigantea pollen.
Agrostis stolonifera pollenThe risk or severity of adverse effects can be increased when Trandolaprilat is combined with Agrostis stolonifera pollen.
AlclofenacThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Alclofenac is combined with Trandolaprilat.
AliskirenThe risk or severity of hypotension, hyperkalemia, and nephrotoxicity can be increased when Aliskiren is combined with Trandolaprilat.
AllopurinolThe risk of a hypersensitivity reaction to Allopurinol is increased when it is combined with Trandolaprilat.
AlmasilateAlmasilate can cause a decrease in the absorption of Trandolaprilat resulting in a reduced serum concentration and potentially a decrease in efficacy.
AlminoprofenThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Alminoprofen is combined with Trandolaprilat.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0060583
ChemSpider
4576532
ChEBI
141521
ChEMBL
CHEMBL1201387
HET
X93
PDB Entries
2x93

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 Solubility0.0834 mg/mLALOGPS
logP0.77ALOGPS
logP0.19ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)3.13ChemAxon
pKa (Strongest Basic)8.04ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area106.94 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity106.27 m3·mol-1ChemAxon
Polarizability42.91 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-MSNot Available

Taxonomy

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 / Aralkylamines / Benzene and substituted derivatives / Dicarboxylic acids and derivatives / Tertiary carboxylic acid amides
show 8 more
Substituents
Alpha-dipeptide / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / N-acyl-l-alpha-amino acid / Alpha-amino acid amide / Alpha-amino acid / Alpha-amino acid or derivatives / L-alpha-amino acid / Indole or derivatives / N-acylpyrrolidine
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on July 04, 2018 11:57 / Updated on December 02, 2019 10:11