Golvatinib

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
Golvatinib
Accession Number
DB11977
Type
Small Molecule
Groups
Investigational
Description

Golvatinib has been investigated for the treatment of Platinum-Resistant Squamous Cell Carcinoma of the Head and Neck.

Structure
Thumb
Synonyms
Not Available
External IDs
E-7050 / E7050
Product Ingredients
IngredientUNIICASInChI Key
Golvatinib Tartrate47S9L68C0N1007601-96-8JYFKDBFPRXMUAM-LREBCSMRSA-N
Categories
UNII
516Z3YP58E
CAS number
928037-13-2
Weight
Average: 633.701
Monoisotopic: 633.287509025
Chemical Formula
C33H37F2N7O4
InChI Key
UQRCJCNVNUFYDX-UHFFFAOYSA-N
InChI
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
IUPAC Name
N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILES
CN1CCN(CC1)C1CCN(CC1)C(=O)NC1=CC(OC2=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C(F)=C2)=CC=N1

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
16118392
PubChem Substance
347828299
ChemSpider
17275597
BindingDB
50100615
ChEMBL
CHEMBL3039525
HET
GV0
PDB Entries
5ia5

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentMalignancies1
1CompletedTreatmentMalignant Neoplasm of Stomach / Tumors, Solid1
1CompletedTreatmentTumors, Solid1
1, 2Active Not RecruitingTreatmentAdvanced Solid Tumors1
1, 2CompletedTreatmentPlatinum-Resistant Squamous Cell Carcinoma of the Head and Neck1
1, 2TerminatedTreatmentAdvanced or Metastatic Solid Tumors / Previously Untreated Gastric 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 Solubility0.0403 mg/mLALOGPS
logP3.19ALOGPS
logP3.56ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)11.38ChemAxon
pKa (Strongest Basic)8.26ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area119.14 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity172.48 m3·mol-1ChemAxon
Polarizability64.23 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
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

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
Anilides / Piperidinecarboxamides / N-arylamides / Phenol ethers / Phenoxy compounds / Aminopiperidines / N-methylpiperazines / Fluorobenzenes / Pyridines and derivatives / Aryl fluorides
show 12 more
Substituents
Diaryl ether / 1-piperidinecarboxamide / Piperidinecarboxamide / Anilide / Phenoxy compound / Phenol ether / N-arylamide / 4-aminopiperidine / Fluorobenzene / Halobenzene
show 31 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

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