This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
Structure for Presatovir (DB12165)
- Weight
- Average: 532.06
Monoisotopic: 531.1819367 - Chemical Formula
- C24H30ClN7O3S
- Synonyms
- Presatovir
- External IDs
- GS-5806
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AFusion glycoprotein F0 inhibitorHuman respiratory syncytial virus A (strain A2) - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 58029842
- PubChem Substance
- 347828456
- ChemSpider
- 34501053
- ChEMBL
- CHEMBL3410450
- ZINC
- ZINC000147513579
- Wikipedia
- Presatovir
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Respiratory Syncytial Virus (RSV) 2 somestatus stop reason just information to hide 2 Completed Treatment Respiratory Syncytial Virus (RSV) Infection 3 somestatus stop reason just information to hide 1 Completed Treatment Respiratory Syncytial Virus (RSV) Infection 1 somestatus stop reason just information to hide 1 Withdrawn Treatment Respiratory Syncytial Virus (RSV) Infection 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.0415 mg/mL ALOGPS logP 3.1 ALOGPS logP 1.28 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 5.05 Chemaxon pKa (Strongest Basic) 9.83 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 125.93 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 150.41 m3·mol-1 Chemaxon Polarizability 55.64 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 206.1988 predictedDeepCCS 1.0 (2019) [M+H]+ 208.59436 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.50688 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Human respiratory syncytial virus A (strain A2)
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Fusion glycoprotein F0 Inactive precursor that is cleaved at two sites by a furin-like protease to give rise to the mature F1 and F2 fusion glycoproteins.
- Specific Function
- identical protein binding
- Gene Name
- F
- Uniprot ID
- P03420
- Uniprot Name
- Fusion glycoprotein F0
- Molecular Weight
- 63452.745 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 21:31 / Updated at August 27, 2024 19:15