NAV

Selgantolimod

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

Identification

Generic Name
Selgantolimod
DrugBank Accession Number
DB16324
Background

Selgantolimod is under investigation in clinical trial NCT03491553 (Safety, Tolerability and Antiviral Activity of Selgantolimod in Virally-suppressed Adults With Chronic Hepatitis B).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 293.346
Monoisotopic: 293.165188447
Chemical Formula
C14H20FN5O
Synonyms
  • Selgantolimod
External IDs
  • GS-9688
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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
TargetActionsOrganism
AToll-like receptor 8
agonist
Humans
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
RM4GJT3SMQ
CAS number
2004677-13-6
InChI Key
HTCJUBZBSJQWBW-AWEZNQCLSA-N
InChI
InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m0/s1
IUPAC Name
(2S)-2-({2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl}amino)-2-methylhexan-1-ol
SMILES
CCCC[C@@](C)(CO)NC1=NC(N)=NC2=C1N=CC(F)=C2

References

General References
Not Available
ChemSpider
81368353
ChEMBL
CHEMBL4297614

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentChronic Hepatitis B Infection1
2CompletedTreatmentChronic Hepatitis B Infection2
2RecruitingTreatmentHuman Immunodeficiency Virus (HIV) Infections / Viral Hepatitis B1

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 Solubility0.115 mg/mLALOGPS
logP2.09ALOGPS
logP2.07Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)14.64Chemaxon
pKa (Strongest Basic)3.29Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area96.95 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity80.72 m3·mol-1Chemaxon
Polarizability30.51 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0006-0090000000-a0c24e31103f4d80e409
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-7d254ce91236688c0439
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p6-0090000000-8498486714565835d72d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0390000000-bb0723a12b9c5123bca8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-1980000000-a2f3e6090e77e8fb0c67
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-1940000000-9f7429288ceab67e2329
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Toll-like receptor 8
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Agonist
General Function
Single-stranded rna binding
Specific Function
Key component of innate and adaptive immunity. TLRs (Toll-like receptors) control host immune response against pathogens through recognition of molecular patterns specific to microorganisms. Acts v...
Gene Name
TLR8
Uniprot ID
Q9NR97
Uniprot Name
Toll-like receptor 8
Molecular Weight
119826.82 Da
References
  1. Amin OE, Colbeck EJ, Daffis S, Khan S, Ramakrishnan D, Pattabiraman D, Chu R, Micolochick Steuer H, Lehar S, Peiser L, Palazzo A, Frey C, Davies J, Javanbakht H, Rosenberg WMC, Fletcher SP, Maini MK, Pallett LJ: Therapeutic Potential of TLR8 Agonist GS-9688 (Selgantolimod) in Chronic Hepatitis B: Remodeling of Antiviral and Regulatory Mediators. Hepatology. 2021 Jul;74(1):55-71. doi: 10.1002/hep.31695. Epub 2021 Jun 20. [Article]
  2. Reyes M, Lutz JD, Lau AH, Gaggar A, Grant EP, Joshi A, Mackman RL, Ling J, Tan SK, Ayithan N, Daffis S, Woo J, Wu P, Lam T, Fletcher SP, Kottilil S, Poonia B, Gane EJ, Mathias A, German P: Safety, pharmacokinetics and pharmacodynamics of selgantolimod, an oral Toll-like receptor 8 agonist: a Phase Ia study in healthy subjects. Antivir Ther. 2020;25(3):171-180. doi: 10.3851/IMP3363. [Article]

Drug created at December 15, 2020 20:02 / Updated at May 04, 2022 21:29