This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Brivanib
- DrugBank Accession Number
- DB11958
- Background
Brivanib is under investigation for the treatment of HepatoCellular Carcinoma. Brivanib has been investigated for the treatment of Solid Tumors, Hepato Cellular Carcinoma (HCC), and Metastatic Colorectal Cancer (MCRC).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Brivanib (DB11958)
- Weight
- Average: 370.384
Monoisotopic: 370.144118651 - Chemical Formula
- C19H19FN4O3
- Synonyms
- Brivanib
- External IDs
- BMS-540215
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Ethers
- Direct Parent
- Diarylethers
- Alternative Parents
- Pyrrolo[2,1-f][1,2,4]triazines / Indoles / Alkyl aryl ethers / Substituted pyrroles / Benzenoids / Aryl fluorides / 1,2,4-triazines / Heteroaromatic compounds / Secondary alcohols / Azacyclic compounds show 4 more
- Substituents
- 1,2,4-triazine / Alcohol / Alkyl aryl ether / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Diaryl ether / Heteroaromatic compound show 14 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- DDU33B674I
- CAS number
- 649735-46-6
- InChI Key
- WCWUXEGQKLTGDX-LLVKDONJSA-N
- InChI
- InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
- IUPAC Name
- (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol
- SMILES
- C[C@@H](O)COC1=CN2N=CN=C(OC3=CC=C4NC(C)=CC4=C3F)C2=C1C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11234052
- PubChem Substance
- 347828283
- ChemSpider
- 9409099
- BindingDB
- 50184807
- ChEBI
- 94562
- ChEMBL
- CHEMBL377300
- ZINC
- ZINC000013684256
- Wikipedia
- Brivanib_alaninate
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Hepatocellular Carcinoma 1 2 Recruiting Treatment Cervical Cancer 1 1 Completed Treatment Colorectal Cancer 1 1 Completed Treatment Gastrointestinal Tract Cancer 1 1 Completed Treatment Tumor 1 1 Unknown Status Treatment Ovarian Cancer 1 1, 2 Completed Treatment Metastatic Colorectal Cancer (CRC) 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 0.049 mg/mL ALOGPS logP 3.32 ALOGPS logP 3.42 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 14.83 Chemaxon pKa (Strongest Basic) 2.04 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.67 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 110.02 m3·mol-1 Chemaxon Polarizability 37.82 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 21:05 / Updated at February 21, 2021 18:53