This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Faldaprevir
- DrugBank Accession Number
- DB11808
- Background
Faldaprevir has been investigated for the treatment of Chronic Hepatitis C.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Faldaprevir (DB11808)
- Weight
- Average: 869.821
Monoisotopic: 868.246510533 - Chemical Formula
- C40H49BrN6O9S
- Synonyms
- Faldaprévir
- Faldaprevir
- Faldaprevirum
- External IDs
- BI 201335
- BI-201335
- BI201335
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Faldaprevir. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Faldaprevir. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Faldaprevir. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Faldaprevir. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Faldaprevir. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Faldaprevir. Human adenovirus e serotype 4 strain cl-68578 antigen The therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Faldaprevir. Rubella virus vaccine The therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Faldaprevir. Typhoid Vaccine Live The therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Faldaprevir. Varicella zoster vaccine (live/attenuated) The therapeutic efficacy of Varicella zoster vaccine (live/attenuated) can be decreased when used in combination with Faldaprevir. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Faldaprevir sodium 1494Q15E7Z 1215856-44-2 JYIOGGWFNHGWMN-CWNXUBRBSA-M
Categories
- ATC Codes
- J05AP04 — Faldaprevir
- Drug Categories
- Acids, Acyclic
- Amino Acids
- Amino Acids, Branched-Chain
- Amino Acids, Cyclic
- Amino Acids, Essential
- Amino Acids, Peptides, and Proteins
- Aminobutyrates
- Antiinfectives for Systemic Use
- Antiviral Agents
- Antivirals for Systemic Use
- Antivirals for treatment of HCV infections
- Butyrates
- Direct Acting Antivirals
- Enzyme Inhibitors
- Heterocyclic Compounds, Fused-Ring
- Imino Acids
- Isobutyrates
- Protease Inhibitors
- Sulfur Compounds
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- Valine and derivatives / N-acyl-L-alpha-amino acids / Proline and derivatives / Alpha amino acid amides / Haloquinolines / Anisoles / Pyrrolidinecarboxamides / N-acylpyrrolidines / N-arylamides / 2,4-disubstituted thiazoles show 17 more
- Substituents
- 2,4-disubstituted 1,3-thiazole / Alkyl aryl ether / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Anisole / Aromatic heteropolycyclic compound / Aryl bromide / Aryl halide / Azacycle show 38 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 958X4J301A
- CAS number
- 801283-95-4
- InChI Key
- LLGDPTDZOVKFDU-XUHJSTDZSA-N
- InChI
- InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
- IUPAC Name
- (1R,2S)-1-[(2S,4R)-4-({8-bromo-7-methoxy-2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]quinolin-4-yl}oxy)-1-[(2S)-2-{[(cyclopentyloxy)carbonyl]amino}-3,3-dimethylbutanoyl]pyrrolidine-2-amido]-2-ethenylcyclopropane-1-carboxylic acid
- SMILES
- COC1=C(Br)C2=C(C=C1)C(O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)=CC(=N2)C1=CSC(NC(=O)C(C)C)=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 42601552
- PubChem Substance
- 347828155
- ChemSpider
- 26327117
- BindingDB
- 50336545
- ChEMBL
- CHEMBL1241348
- ZINC
- ZINC000150339145
- PharmGKB
- PA166128132
- PDBe Ligand
- L4T
- Wikipedia
- Faldaprevir
- PDB Entries
- 3p8n
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 4 3 Completed Treatment Hepatitis C Virus (HCV) Infection 4 3 Withdrawn Treatment Chronic Hepatitis C Virus (HCV) Infection 2 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 5 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection / Hepatitis C Genotype 4 / Hepatitis C Virus (HCV) Infection 1 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection / Hepatitis C Virus (HCV) Infection / Hepatitis C, Genotype 1 1 2 Completed Treatment Hepatitis C Virus (HCV) Infection 1 2 Completed Treatment Hepatitis C Virus (HCV) Infection / Pharmacokinetics 1 1 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 3 1 Completed Treatment Cirrhosis of the Liver / 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 0.00128 mg/mL ALOGPS logP 4.43 ALOGPS logP 6.51 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 3.39 Chemaxon pKa (Strongest Basic) 1.11 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 198.38 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 212.25 m3·mol-1 Chemaxon Polarizability 86.94 Å3 Chemaxon Number of Rings 6 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 20:49 / Updated at February 21, 2021 18:53