Brivanib

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

Identification

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Name
Brivanib
Accession Number
DB11958
Type
Small Molecule
Groups
Investigational
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).

Structure
Thumb
Synonyms
Not Available
External IDs
BMS-540215
Categories
UNII
DDU33B674I
CAS number
649735-46-6
Weight
Average: 370.384
Monoisotopic: 370.144118651
Chemical Formula
C19H19FN4O3
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11234052
PubChem Substance
347828283
ChemSpider
9409099
BindingDB
50184807
ChEBI
94562
ChEMBL
CHEMBL377300
Wikipedia
Brivanib_alaninate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHepatocellular,Carcinoma1
1CompletedTreatmentColorectal Cancers1
1CompletedTreatmentGastro-Intestinal Cancer1
1CompletedTreatmentHepatocellular,Carcinoma1
1CompletedTreatmentNeoplasms Metastasis / Tumors1
1CompletedTreatmentTumors2
1CompletedTreatmentTumors, Solid1
1RecruitingTreatmentCancer of the Ovary1
1, 2CompletedTreatmentMetastatic Colorectal Cancer (MCRC)1
2CompletedTreatmentAdvanced Non-Small Cell Lung Cancer / Gastric/Esophageal Adenocarcinoma / Pancreatic Cancer Including Ampulla of Vater / Soft Tissue Sarcoma (STS) / Transitional Cell Carcinoma1
2CompletedTreatmentHepatocellular Carcinoma (HCC)1
2TerminatedTreatmentColorectal Adenocarcinoma / Colorectal Cancers1
3CompletedTreatmentHepato Cellular Carcinoma (HCC)1
3CompletedTreatmentHepatocellular,Carcinoma1
3TerminatedTreatmentHepatocellular,Carcinoma1
3TerminatedTreatmentLiver Cancer1

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

Taxonomy

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
Diaryl ether / Pyrrolo[2,1-f][1,2,4]triazine / Indole / Indole or derivatives / Alkyl aryl ether / Aryl fluoride / Aryl halide / 1,2,4-triazine / Benzenoid / Triazine
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:05 / Updated on June 04, 2019 07:29