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
Structure for Ningetinib (DB16256)
- 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
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- ChemSpider
- 61719564
- BindingDB
- 180270
- ChEMBL
- CHEMBL3984441
- ZINC
- ZINC000143426755
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Advanced Non-Small Cell Lung Cancer (NSCLC) 1 2 Terminated Treatment Stage IV Non-small Cell Lung Cancer (NSCLC) 1 1 Completed Treatment Advanced Solid Tumors 1 1 Terminated Treatment Acute Myeloid Leukemia 1 1, 2 Active Not Recruiting Treatment Non-Small Cell Lung Cancer (NSCLC) 1 1, 2 Terminated Treatment Metastatic Renal Cell Carcinoma ( mRCC) 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
Property Value Source Water Solubility 0.00408 mg/mL ALOGPS logP 4.07 ALOGPS logP 3.89 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 12.96 Chemaxon pKa (Strongest Basic) 5.59 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 104.23 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 152.96 m3·mol-1 Chemaxon Polarizability 58.81 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - 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