Deleobuvir
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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
- Deleobuvir
- DrugBank Accession Number
- DB14850
- Background
Deleobuvir is under investigation in clinical trial NCT01983566 (Effect of Food and Increased Gastric pH Value on Bioavailability of a Single Dose of BI 207127 in Healthy Caucasian and Japanese Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 653.581
Monoisotopic: 652.179752 - Chemical Formula
- C34H33BrN6O3
- Synonyms
- Deleobuvir
- External IDs
- BI 207127
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 58BU988K90
- CAS number
- 863884-77-9
- InChI Key
- BMAIGAHXAJEULY-UKTHLTGXSA-N
- InChI
- InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+
- IUPAC Name
- (2E)-3-(2-{1-[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-amido]cyclobutyl}-1-methyl-1H-1,3-benzodiazol-6-yl)prop-2-enoic acid
- SMILES
- CN1C2=C(C=CC(\C=C\C(O)=O)=C2)N=C1C1(CCC1)NC(=O)C1=CC2=C(C=C1)C(C1CCCC1)=C(N2C)C1=NC=C(Br)C=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 29773345
- ChEMBL
- CHEMBL2403318
- PharmGKB
- PA166128130
- Wikipedia
- Deleobuvir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 2 3 Withdrawn Treatment Chronic Hepatitis C Virus (HCV) Infection 1 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 3 1 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 2 1 Completed Treatment Healthy Volunteers (HV) 3
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 0.00401 mg/mL ALOGPS logP 5.85 ALOGPS logP 5.64 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 3.67 Chemaxon pKa (Strongest Basic) 4.63 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 114.93 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 183.78 m3·mol-1 Chemaxon Polarizability 66.82 Å3 Chemaxon Number of Rings 7 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 14:30 / Updated at February 21, 2021 18:54