Samatasvir
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Samatasvir
- DrugBank Accession Number
- DB12660
- Background
Samatasvir has been used in trials studying the treatment of Hepatitis C, Chronic, Chronic Hepatitis C Virus, and Chronic Hepatitis C Infection.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 885.07
Monoisotopic: 884.313823646 - Chemical Formula
- C47H48N8O6S2
- Synonyms
- Samatasvir
- External IDs
- IDX-18719
- IDX18719
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 valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Valine and derivatives
- Alternative Parents
- Alpha amino acid amides / Phenylimidazoles / Phenylacetamides / Benzimidazoles / Thienothiophenes / N-acylpyrrolidines / Thiophenes / Tertiary carboxylic acid amides / Methylcarbamates / Heteroaromatic compounds show 5 more
- Substituents
- 4-phenylimidazole / 5-phenylimidazole / Alpha-amino acid amide / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Carbamic acid ester / Carbonyl group show 19 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 21P699C5FC
- CAS number
- 1312547-19-5
- InChI Key
- ATOLIHZIXHZSBA-BTSKBWHGSA-N
- InChI
- InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1
- IUPAC Name
- methyl N-[(1R)-2-[(2S)-2-{5-[4-(6-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-1,3-benzodiazol-6-yl}thieno[3,2-b]thiophen-3-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
- SMILES
- COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC2=CC=C(C=C2N1)C1=CSC2=C1SC=C2C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 58310140
- PubChem Substance
- 347828864
- ChemSpider
- 30843806
- ChEMBL
- CHEMBL3039519
- ZINC
- ZINC000150588806
- Wikipedia
- Samatasvir
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 1 somestatus stop reason just information to hide 1 Completed Not Available Hepatitis C Virus (HCV) Infection 1 somestatus stop reason just information to hide 1 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 3 somestatus stop reason just information to hide
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 0.000691 mg/mL ALOGPS logP 6.62 ALOGPS logP 6.9 Chemaxon logS -6.1 ALOGPS pKa (Strongest Acidic) 11 Chemaxon pKa (Strongest Basic) 5.82 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 174.64 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 239 m3·mol-1 Chemaxon Polarizability 97.77 Å3 Chemaxon Number of Rings 9 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)
Adduct CCS Value (Å2) Source type Source [M-H]- 361.7707872 predictedDarkChem Lite v0.1.0 [M-H]- 272.00833 predictedDeepCCS 1.0 (2019) [M+H]+ 360.8668872 predictedDarkChem Lite v0.1.0 [M+H]+ 273.90375 predictedDeepCCS 1.0 (2019) [M+Na]+ 279.97244 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:29 / Updated at February 21, 2021 18:53