GS-6620
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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
- Weight
- Average: 644.622
Monoisotopic: 644.235963793 - Chemical Formula
- C29H37N6O9P
- Synonyms
- Not Available
- External IDs
- GS 6620
- GS-6620
- GS6620
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 31141333
- ChEMBL
- CHEMBL3120793
- ZINC
- ZINC000150606858
- Wikipedia
- GS-6620
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Not Available Chronic Hepatitis C Virus (HCV) Infection 1
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
Property Value Source Water Solubility 0.155 mg/mL ALOGPS logP 2.09 ALOGPS logP 2.46 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 11.8 Chemaxon pKa (Strongest Basic) 8.35 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 215.61 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 181.64 m3·mol-1 Chemaxon Polarizability 63.48 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:01 / Updated at June 12, 2020 16:53