NAV

Sisunatovir

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

Identification

Generic Name
Sisunatovir
DrugBank Accession Number
DB15674
Background

Sisunatovir is under investigation in clinical trial NCT04267822 (Study of RV521 in the Treatment of Adult Subjects Who Have Undergone HCT With an URTI With RSV).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 446.45
Monoisotopic: 446.172973996
Chemical Formula
C23H22F4N4O
Synonyms
  • Sisunatovir
External IDs
  • RV-521
  • RV521
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
KE63TTO7WK
CAS number
1903763-82-5
InChI Key
JOPCJJSYRPUEDS-UHFFFAOYSA-N
InChI
InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2
IUPAC Name
1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-1,3-benzodiazol-2-yl]methyl}-6'-fluoro-1',2'-dihydrospiro[cyclopropane-1,3'-indol]-2'-one
SMILES
NCC1=CC2=C(C=C1)N(CCCC(F)(F)F)C(CN1C(=O)C3(CC3)C3=C1C=C(F)C=C3)=N2

References

General References
Not Available
ChemSpider
64835198
PDBe Ligand
WVA
PDB Entries
7kqd

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRespiratory Syncytial Virus (RSV) Infection1
2TerminatedTreatmentLower Resp Tract Infection / Respiratory Syncytial Virus (RSV)1
2WithdrawnTreatmentLower Resp Tract Infection / Respiratory Syncytial Virus (RSV) Infection / Stem Cell Transplant Complications1
2, 3RecruitingTreatmentRespiratory Syncytial Virus (RSV) Infection1
1CompletedBasic ScienceHealthy Volunteers (HV)2

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 Solubility0.00653 mg/mLALOGPS
logP3ALOGPS
logP3.66Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)9.08Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.15 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity111.07 m3·mol-1Chemaxon
Polarizability44.17 Å3Chemaxon
Number of Rings5Chemaxon
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 MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0000900000-b455bd2b2cb2aa64b846
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0000900000-785b232c787e7782bba3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000t-0000900000-a5aed08a8d28a67edd6f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kb-1024900000-d12d63f646e80d7996cb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fs-0448900000-b162290c33df5d5c825f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01dv-0669200000-04f2bc538a519041cd05
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at April 20, 2020 15:50 / Updated at February 21, 2021 18:55