Rilematovir

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

Identification

Generic Name
Rilematovir
DrugBank Accession Number
DB15672
Background

Rilematovir is under investigation in clinical trial NCT04056611 (Effects of JNJ-53718678 in Adult and Adolescent Participants Who Had a Hematopoietic Stem Cell Transplantation and Who Are Infected With Respiratory Syncytial Virus (RSV)).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 500.92
Monoisotopic: 500.0896739
Chemical Formula
C21H20ClF3N4O3S
Synonyms
  • Rilematovir
External IDs
  • JNJ-53718678

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
NQ99E8OH3P
CAS number
1383450-81-4
InChI Key
GTQTUABHRCWVLL-UHFFFAOYSA-N
InChI
InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
IUPAC Name
3-{[5-chloro-1-(3-methanesulfonylpropyl)-1H-indol-2-yl]methyl}-1-(2,2,2-trifluoroethyl)-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
SMILES
CS(=O)(=O)CCCN1C(CN2C(=O)N(CC(F)(F)F)C3=C2C=NC=C3)=CC2=C1C=CC(Cl)=C2

References

General References
Not Available
ChemSpider
58810205
PDBe Ligand
6YA
PDB Entries
5kww

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentRespiratory Tract Infections (RTI)1
2CompletedTreatmentRespiratory Syncytial Virus (RSV)1
2CompletedTreatmentRespiratory Syncytial Virus (RSV) Infection2
2TerminatedTreatmentRespiratory Syncytial Virus (RSV)1
2TerminatedTreatmentRespiratory Syncytial Virus (RSV) Infection2

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 Solubility0.00415 mg/mLALOGPS
logP3.16ALOGPS
logP2.28Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)17.85Chemaxon
pKa (Strongest Basic)3.73Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area75.51 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity118.14 m3·mol-1Chemaxon
Polarizability46.71 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-0udi-0000290000-13ac0c800c143ab9d7b6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000t-3000900000-aa9b61a5021ed3413a1d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0689340000-5e0f007b7beb3a247998
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00l2-4010900000-25933fe15556adcb4042
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9661100000-52448c9febfdee6b8dd5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03fr-2219300000-f3bd05f5cff11c447f1c
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at April 20, 2020 15:45 / Updated at February 21, 2021 18:55