NAV

Savolitinib

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

Identification

Generic Name
Savolitinib
DrugBank Accession Number
DB12048
Background

Savolitinib has been used in trials studying the treatment and health services research of Tumor, Food Effect, Gastric Cancer, Health Subjects, and Colorectal Cancer, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 345.37
Monoisotopic: 345.145041519
Chemical Formula
C17H15N9
Synonyms
  • Savolitinib
  • Volitinib
External IDs
  • AZD6094
  • HMPL-504
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Savolitinib.
CarbimazoleThe therapeutic efficacy of Carbimazole can be decreased when used in combination with Savolitinib.
FollitropinThe therapeutic efficacy of Follitropin can be decreased when used in combination with Savolitinib.
LevothyroxineThe therapeutic efficacy of Levothyroxine can be decreased when used in combination with Savolitinib.
LiothyronineThe therapeutic efficacy of Liothyronine can be decreased when used in combination with Savolitinib.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyridines
Sub Class
Not Available
Direct Parent
Imidazopyridines
Alternative Parents
Imidazo[1,2-a]pyridines / Pyridines and derivatives / Pyrazines / N-substituted imidazoles / Triazoles / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
1,2,3-triazole / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazo[1,2-a]pyridine / Imidazole / Imidazopyridine / N-substituted imidazole
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2A2DA6857R
CAS number
1313725-88-0
InChI Key
XYDNMOZJKOGZLS-NSHDSACASA-N
InChI
InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
IUPAC Name
4-{1-[(1S)-1-{imidazo[1,2-a]pyridin-6-yl}ethyl]-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl}-1-methyl-1H-pyrazole
SMILES
C[C@H](N1N=NC2=NC=C(N=C12)C1=CN(C)N=C1)C1=CN2C=CN=C2C=C1

References

General References
Not Available
PubChem Compound
68289010
PubChem Substance
347828359
ChemSpider
34501055
BindingDB
50023342
ChEMBL
CHEMBL3334567
ZINC
ZINC000149738712
PDBe Ligand
V0L
Wikipedia
Savolitinib
PDB Entries
5lbw / 6sde

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentCarcinoma / Enzyme Inhibitors / Kidney Diseases / Neoplasms by Site / Protein Kinase Inhibitors / Renal Cell Carcinoma (RCC) / Renal Neoplasms / Urologic Neoplasms1
3RecruitingTreatmentCarcinoma / Non Small Cell Lung1
3RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
3RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)2
3RecruitingTreatmentPapillary Renal Cell Carcinoma1

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 Solubility0.337 mg/mLALOGPS
logP1.88ALOGPS
logP1.07Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)6.67Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area91.61 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity119.06 m3·mol-1Chemaxon
Polarizability35.72 Å3Chemaxon
Number of Rings5Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00kg-2925000000-07a82e34f96617735c4a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-fae6f950284d6a4f52c3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0009000000-e65c568783e1c328532f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0109000000-4746ebc5774451be0019
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0049000000-ca522c6dd9c8cd328d07
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pc0-0940000000-7da924d36c5a612001ff
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-0973000000-b2e4a34d2a8fde13b3c9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-176.77257
predicted
DeepCCS 1.0 (2019)
[M+H]+179.13055
predicted
DeepCCS 1.0 (2019)
[M+Na]+186.0071
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:15 / Updated at February 21, 2021 18:53