NAV

GS-6620

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

Identification

Generic Name
GS-6620
DrugBank Accession Number
DB15222
Background

GS-6620 is under investigation in clinical trial NCT01316237 (A Study Evaluating the Safety, Tolerability, Pharmacokinetics and Antiviral Activity of GS-6620 in Treatment Naïve Subjects With Chronic Hepatitis C Virus Infection).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 644.622
Monoisotopic: 644.235963793
Chemical Formula
C29H37N6O9P
Synonyms
Not Available
External IDs
  • GS 6620
  • GS-6620
  • GS6620
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acid esters
Alternative Parents
Alanine and derivatives / C-glycosyl compounds / Pyrrolo[2,1-f][1,2,4]triazines / Phosphoric diester monoamides / Phenoxy compounds / 1,2,4-triazines / Substituted pyrroles / Dicarboxylic acids and derivatives / Organic phosphoramides / Imidolactams
show 13 more
Substituents
1,2,4-triazine / Alanine or derivatives / Alcohol / Alpha-amino acid ester / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / C-glycosyl compound / Carbonitrile
show 32 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
WD5DUG7X38
CAS number
1350735-70-4
InChI Key
YAAQYJCOIFNMKX-RSTNYOGXSA-N
InChI
InChI=1S/C29H37N6O9P/c1-17(2)26(36)42-24-22(43-29(15-30,28(24,6)38)23-13-12-21-25(31)32-16-33-35(21)23)14-40-45(39,44-20-10-8-7-9-11-20)34-19(5)27(37)41-18(3)4/h7-13,16-19,22,24,38H,14H2,1-6H3,(H,34,39)(H2,31,32,33)/t19-,22+,24+,28+,29-,45-/m0/s1
IUPAC Name
propan-2-yl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-4-hydroxy-4-methyl-3-[(2-methylpropanoyl)oxy]oxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate
SMILES
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3N2N=CN=C3N)[C@](C)(O)[C@@H]1OC(=O)C(C)C)OC1=CC=CC=C1

References

General References
Not Available
ChemSpider
31141333
ChEMBL
CHEMBL3120793
ZINC
ZINC000150606858
Wikipedia
GS-6620

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableChronic Hepatitis C Virus (HCV) Infection1

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 Solubility0.155 mg/mLALOGPS
logP2.09ALOGPS
logP2.46Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)11.8Chemaxon
pKa (Strongest Basic)8.35Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count12Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area215.61 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity181.64 m3·mol-1Chemaxon
Polarizability63.48 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
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, Negative (Annotated)Predicted LC-MS/MSsplash10-01tc-1050924000-a39a581f42eb6474f4a3
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ds-3050096000-d62a520bf84d22071e1d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dr-9010000000-4db074ae14c364e6fcd5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01pk-1490011000-3e19e6f5123a1f03d6b3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-4920111000-29db77913065968ceedb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aba-2933212000-4fd20165751f96f5e8b5
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:01 / Updated at June 12, 2020 16:53