RG-7795

Overview

DrugBank ID
DB06329
Type
Small Molecule
US Approved
NO
Other Approved
NO
Clinical Trials
Phase 0
0
Phase 1
1
Phase 2
0
Phase 3
0
Phase 4
0

Identification

Generic Name
RG-7795
DrugBank Accession Number
DB06329
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 326.33
Monoisotopic: 326.068490741
Chemical Formula
C12H14N4O5S
Synonyms
Not Available
External IDs
  • ANA-773
  • ANA773
  • RG-7795
  • RG7795

Pharmacology

Indication

Investigated for use/treatment in solid tumors.

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

ANA773 is an oral Toll like-receptor 7 (TLR7) prodrug agonist whose active metabolite promotes natural killer (NK) cell-mediated anti-tumor response by inducing cytokine secretion, enhanced cytolysis of tumor cells by natural killer (NK cells) and enhanced antibody-dependent cellular cytotoxicity (ADCC). ANA773 induced the secretion of interferon-alpha (IFN-alpha) and various other cytokines from human peripheral blood mononuclear cells (PBMC) cultured in vitro. Innate immunity provides the first line of defense against tumor cells by inducing a broad immune response that includes the secretion of cytokines and the stimulation of NK cells. NK cells mediate anti-tumor activity by multiple mechanisms. NK cells directly lyse tumor cells through the secretion of cytotoxic granules; they promote apoptosis through the production of interferon-gamma (IFN-gamma), and they enhance the anti-tumor response of other immune cells. NK cells are activated by diverse signals, including type I interferons. Large amounts of type I IFN are produced by plasmacytoid dendritic cells (pDCs) upon engagement of the pattern recognition receptor TLR7. The natural ligand for TLR7 is single stranded RNA, although a variety of small molecule agonists have also been discovered. [Anadys Pharmaceuticals Press Release]

TargetActionsOrganism
UToll-like receptor 7Not AvailableHumans
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
QTI86134YL
CAS number
892498-64-5
InChI Key
HOOMGTNENMZAFP-NYNCVSEMSA-N
InChI
InChI=1S/C12H14N4O5S/c1-5(18)20-7-2-6(4-17)21-10(7)16-9-8(22-12(16)19)3-14-11(13)15-9/h3,6-7,10,17H,2,4H2,1H3,(H2,13,14,15)/t6-,7+,10+/m0/s1
IUPAC Name
(2R,3R,5S)-2-{5-amino-2-oxo-2H,3H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}-5-(hydroxymethyl)oxolan-3-yl acetate
SMILES
CC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1N1C(=O)SC2=CN=C(N)N=C12

References

General References
  1. Link [Link]
ChemSpider
9762656
Wikipedia
ANA773

Clinical Trials

Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
1CompletedTreatmentHepatitis C Virus (HCV) Infection1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility6.13 mg/mLALOGPS
logP-0.48ALOGPS
logP-0.28Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)14.63Chemaxon
pKa (Strongest Basic)3.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area127.87 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity77.2 m3·mol-1Chemaxon
Polarizability30.29 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-004i-0029000000-53218f330172546d3cf7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-e5c6f6e96ed79595fdec
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-1956000000-2de2fc83e4d6fcfa274c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-6b0982a7ed4e89bb9610
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00or-0910000000-4cff873a853c11610654
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9510000000-550ad0335612252d164f
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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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Endosomal receptor that plays a key role in innate and adaptive immunity (PubMed:14976261, PubMed:32433612). Controls host immune response against pathogens through recognition of uridine-containing single strand RNAs (ssRNAs) of viral origin or guanosine analogs (PubMed:12738885, PubMed:27742543, PubMed:31608988, PubMed:32706371, PubMed:35477763). Upon binding to agonists, undergoes dimerization that brings TIR domains from the two molecules into direct contact, leading to the recruitment of TIR-containing downstream adapter MYD88 through homotypic interaction (PubMed:27742543). In turn, the Myddosome signaling complex is formed involving IRAK4, IRAK1, TRAF6, TRAF3 leading to activation of downstream transcription factors NF-kappa-B and IRF7 to induce pro-inflammatory cytokines and interferons, respectively (PubMed:27742543, PubMed:32706371)
Specific Function
double-stranded RNA binding
Gene Name
TLR7
Uniprot ID
Q9NYK1
Uniprot Name
Toll-like receptor 7
Molecular Weight
120920.8 Da

Drug created at March 19, 2008 16:24 / Updated at May 10, 2021 12:36