This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vesatolimod
- DrugBank Accession Number
- DB12687
- Background
Vesatolimod has been used in trials studying the treatment of Hepatitis B and Chronic Hepatitis B.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vesatolimod (DB12687)
- Weight
- Average: 410.522
Monoisotopic: 410.24302423 - Chemical Formula
- C22H30N6O2
- Synonyms
- Vesatolimod
- External IDs
- GS-9620
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Vesatolimod. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Vesatolimod. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Vesatolimod. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Vesatolimod. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Vesatolimod. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Vesatolimod. Human adenovirus e serotype 4 strain cl-68578 antigen The therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Vesatolimod. Rubella virus vaccine The therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Vesatolimod. Typhoid Vaccine Live The therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Vesatolimod. Varicella zoster vaccine (live/attenuated) The therapeutic efficacy of Varicella zoster vaccine (live/attenuated) can be decreased when used in combination with Vesatolimod. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pteridines and derivatives
- Sub Class
- Not Available
- Direct Parent
- Pteridines and derivatives
- Alternative Parents
- Alpha amino acids and derivatives / Phenylmethylamines / Dialkylarylamines / Benzylamines / Alkyl aryl ethers / Aminopyrimidines and derivatives / Aralkylamines / N-alkylpyrrolidines / Imidolactams / Heteroaromatic compounds show 8 more
- Substituents
- Alkyl aryl ether / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aminopyrimidine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzylamine show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- O8M467C50G
- CAS number
- 1228585-88-3
- InChI Key
- VFOKSTCIRGDTBR-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
- IUPAC Name
- 4-amino-2-butoxy-8-({3-[(pyrrolidin-1-yl)methyl]phenyl}methyl)-5,6,7,8-tetrahydropteridin-6-one
- SMILES
- CCCCOC1=NC(N)=C2NC(=O)CN(CC3=CC=CC(CN4CCCC4)=C3)C2=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 46241268
- PubChem Substance
- 347828889
- ChemSpider
- 27289075
- BindingDB
- 50440284
- ChEMBL
- CHEMBL2424780
- ZINC
- ZINC000095616590
- PDBe Ligand
- 9JR
- PDB Entries
- 5zsj
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Basic Science Human Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS) 1 2 Completed Treatment Hepatitis B Chronic Infection 2 2 Recruiting Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 1 1 Active Not Recruiting Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 1 1 Completed Treatment HBV / Viral Hepatitis B 1 1 Completed Treatment Hepatitis C Virus (HCV) Infection 1 1 Completed Treatment Human Immunodeficiency Virus Type 1 (HIV-1) Infection 2 1 Completed Treatment Viral Hepatitis B 1 Not Available Terminated Not Available Hepatitis B Chronic Infection 1
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 0.0637 mg/mL ALOGPS logP 2.95 ALOGPS logP 3.37 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 11.32 Chemaxon pKa (Strongest Basic) 9.19 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.61 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 121.76 m3·mol-1 Chemaxon Polarizability 45.9 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 23:38 / Updated at February 21, 2021 18:53