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

Identification

Generic Name
Ningetinib
DrugBank Accession Number
DB16256
Background

Ningetinib is under investigation in clinical trial NCT03758287 (Ningetinib (CT053PTSA) Plus Gefitinib in Stage IIIB or IV NSCLC Patients With EGFR Mutation and T790M Negative).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 556.594
Monoisotopic: 556.212198213
Chemical Formula
C31H29FN4O5
Synonyms
  • Ct-053 free base
  • Ct-053-ptsa free base
  • Ct053ptsa free base

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
PW3Q92Z6A4
CAS number
1394820-69-9
InChI Key
VQYYQSZNRVQLIS-UHFFFAOYSA-N
InChI
InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)
IUPAC Name
N-(3-fluoro-4-{[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxy}phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
SMILES
CN1N(C(=O)C(C(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CC(OCC(C)(C)O)=C4)C=C2)=C1C)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
61719564
BindingDB
180270
ChEMBL
CHEMBL3984441
ZINC
ZINC000143426755

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Not Yet RecruitingTreatmentAdvanced Non Small Cell Lung Cancer (NSCLC)1
1CompletedTreatmentSolid Tumors, Advanced Solid Tumors1
1TerminatedTreatmentAcute Myeloid Leukemia (AML)1
1, 2RecruitingTreatmentNon-Small Cell Lung Carcinoma (NSCLC)1
1, 2TerminatedTreatmentRenal Cell Cancer Metastatic1

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 Solubility0.00408 mg/mLALOGPS
logP4.07ALOGPS
logP3.89ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)12.96ChemAxon
pKa (Strongest Basic)5.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area104.23 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity152.96 m3·mol-1ChemAxon
Polarizability58.81 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:17 / Updated at December 20, 2020 03:40