Brivanib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Brivanib
Accession Number
DB11958
Description

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
Thumb
Weight
Average: 370.384
Monoisotopic: 370.144118651
Chemical Formula
C19H19FN4O3
Synonyms
Not Available
External IDs
  • BMS-540215

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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

Products

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

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
PubChem Compound
11234052
PubChem Substance
347828283
ChemSpider
9409099
BindingDB
50184807
ChEBI
94562
ChEMBL
CHEMBL377300
ZINC
ZINC000013684256
Wikipedia
Brivanib_alaninate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHepatocellular Carcinoma (HCC)1
1CompletedTreatmentColorectal Cancers1
1CompletedTreatmentGastro-Intestinal Cancer1
1CompletedTreatmentTumors1
1RecruitingTreatmentOvarian Cancer1
1, 2CompletedTreatmentMetastatic Colorectal Cancer (MCRC)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
PropertyValueSource
Water Solubility0.049 mg/mLALOGPS
logP3.32ALOGPS
logP3.42ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)14.83ChemAxon
pKa (Strongest Basic)2.04ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area84.67 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity110.02 m3·mol-1ChemAxon
Polarizability37.82 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 15:05 / Updated on June 12, 2020 10:53

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