NAV

Telinavir

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

Identification

Generic Name
Telinavir
DrugBank Accession Number
DB12178
Background

Telinavir has been used in trials studying the treatment of HIV Infections.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 604.752
Monoisotopic: 604.337318541
Chemical Formula
C33H44N6O5
Synonyms
  • Telinavir
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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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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
Asparagine and derivatives
Alternative Parents
Quinoline carboxamides / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Phenylbutylamines / Amphetamines and derivatives / Pyridinecarboxylic acids and derivatives / 2-heteroaryl carboxamides / N-acyl amines / Heteroaromatic compounds / Ureas
show 9 more
Substituents
2-heteroaryl carboxamide / Alcohol / Alpha-amino acid amide / Amphetamine or derivatives / Aromatic heteropolycyclic compound / Asparagine or derivatives / Azacycle / Benzenoid / Carbonic acid derivative / Carbonyl group
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
IZF55EH3CG
CAS number
143224-34-4
InChI Key
ZILOOGIOHVCEKS-HZFUHODCSA-N
InChI
InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1
IUPAC Name
(2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=CC=C2C=CC=CC2=N1)C(=O)NC(C)(C)C

References

General References
Not Available
PubChem Compound
382974
PubChem Substance
347828465
ChemSpider
339331
BindingDB
483
ChEMBL
CHEMBL322241

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1

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 Solubility0.00427 mg/mLALOGPS
logP2.39ALOGPS
logP2.48Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)13.59Chemaxon
pKa (Strongest Basic)0.59Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area166.75 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity167.15 m3·mol-1Chemaxon
Polarizability66.35 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0a4i-1101197000-f8d6c215f8308b51ce29
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0111239000-d4d5020ce2073d7c941a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2011920000-5cd1a3d711206ab9b3d2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-2110930000-8a116b6b95eeb13dbc00
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-3963200000-4c74e231133d5a434eec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1910000000-32d67e9aef18489bdf0e
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-234.85768
predicted
DeepCCS 1.0 (2019)
[M+H]+236.68259
predicted
DeepCCS 1.0 (2019)
[M+Na]+242.2884
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:33 / Updated at February 21, 2021 18:53