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

Identification

Generic Name
Presatovir
DrugBank Accession Number
DB12165
Background

Presatovir has been used in trials studying the treatment of RSV Infection, Respiratory Syncytial Virus (RSV), Respiratory Syncytial Virus Infections, and Respiratory Syncytial Virus (RSV) Infections.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 532.06
Monoisotopic: 531.1819367
Chemical Formula
C24H30ClN7O3S
Synonyms
  • Presatovir
External IDs
  • GS-5806

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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoyl derivatives
Direct Parent
1-benzoylpiperidines
Alternative Parents
N-benzoylpiperidines / 3-halobenzoic acids and derivatives / Sulfanilides / Benzamides / Pyrazolo[1,5-a]pyrimidines / Dialkylarylamines / Aminopyrimidines and derivatives / Chlorobenzenes / Aryl chlorides / Organosulfonamides
show 15 more
Substituents
1-benzoylpiperidine / 3-halobenzoic acid or derivatives / Amine / Amino acid or derivatives / Aminopyrimidine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle
show 39 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9628AJ27JA
CAS number
1353625-73-6
InChI Key
GOFXWTVKPWJNGD-UWJYYQICSA-N
InChI
InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1
IUPAC Name
N-{2-[(2S)-2-{5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}piperidine-1-carbonyl]-4-chlorophenyl}methanesulfonamide
SMILES
CC1=CN2N=C(C=C2N=C1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)C1=CC(Cl)=CC=C1NS(C)(=O)=O

References

General References
Not Available
PubChem Compound
58029842
PubChem Substance
347828456
ChemSpider
34501053
ChEMBL
CHEMBL3410450
ZINC
ZINC000147513579
Wikipedia
Presatovir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentInfections, Respiratory Syncytial Virus3
2CompletedTreatmentRespiratory Syncytial Virus (RSV)2
1CompletedTreatmentInfections, Respiratory Syncytial Virus1
1WithdrawnTreatmentInfections, Respiratory Syncytial Virus1

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 Solubility0.0415 mg/mLALOGPS
logP3.1ALOGPS
logP1.28Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)5.05Chemaxon
pKa (Strongest Basic)9.83Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area125.93 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity150.41 m3·mol-1Chemaxon
Polarizability55.64 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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

Drug created at October 20, 2016 21:31 / Updated at February 21, 2021 18:53