Faldaprevir

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
Thumb
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

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
Learn more
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
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
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.
DrugInteraction
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Faldaprevir.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Faldaprevir.
Bacillus calmette-guerin substrain connaught live antigenThe 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 antigenThe 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 antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Faldaprevir.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Faldaprevir.
Human adenovirus e serotype 4 strain cl-68578 antigenThe therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Faldaprevir.
Rubella virus vaccineThe therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Faldaprevir.
Typhoid Vaccine LiveThe 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.
Interactions
Improve patient outcomes
Build effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.
Learn more
Food Interactions
Not Available

Products

Products
Comprehensive & structured drug product info
From application numbers to product codes, connect different identifiers through our commercial datasets.
Learn more
Easily connect various identifiers back to our datasets
Learn more
Product Ingredients
IngredientUNIICASInChI Key
Faldaprevir sodium1494Q15E7Z1215856-44-2JYIOGGWFNHGWMN-CWNXUBRBSA-M

Categories

ATC Codes
J05AP04 — Faldaprevir
Drug Categories
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
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
PhaseStatusPurposeConditionsCount
3CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection4
3CompletedTreatmentHepatitis C Viral Infection4
3WithdrawnTreatmentChronic Hepatitis C Virus (HCV) Infection2
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection5
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection / Hepatitis C Genotype 1 / Hepatitis C Viral Infection / Hepatitis C Virus (HCV) Infection1
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection / Hepatitis C Genotype 4 / Hepatitis C Viral Infection / Hepatitis C Virus (HCV) Infection1
2CompletedTreatmentHepatitis C Viral Infection1
2CompletedTreatmentHepatitis C Viral Infection / Pharmacokinetics1
1CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection3
1CompletedTreatmentHealthy Volunteers16

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 Solubility0.00128 mg/mLALOGPS
logP4.43ALOGPS
logP6.51ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)1.11ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area198.38 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity212.25 m3·mol-1ChemAxon
Polarizability86.94 Å3ChemAxon
Number of Rings6ChemAxon
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, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 20:49 / Updated on February 21, 2021 18:53