Quizartinib
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Quizartinib
- Accession Number
- DB12874
- Description
Quizartinib is under investigation in Childhood Acute Myeloid Leukemia/Other Myeloid Malignancies. It is a potent inhibitor of FLT3.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Quizartinib (DB12874)
- Weight
- Average: 560.67
Monoisotopic: 560.220574708 - Chemical Formula
- C29H32N6O4S
- Synonyms
- N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2-yl)phenyl)urea
- Quizartinib
- Quizartinibum
- External IDs
- AC 010220
- AC 220
- AC-010220
- AC-220
- AC010220
- AC220
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
In preclinical studies, Quizartinib demonstrated dose-dependent activity and favorable drug-like profiles in bioavailability, pharmacokinetics, cytochrome P450 (CYP) liability, and absorption, distribution, metabolism, excretion (ADME).
- Mechanism of action
Quizartinib potently inhibits FLT3, a kinase that is mutated in approximately one-third of acute myeloid leukemia cases, and patients with FLT3 mutations are less responsive to traditional therapies.
Target Actions Organism UReceptor-type tyrosine-protein kinase FLT3 Not Available Humans - 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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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
Products
- Product Ingredients
Ingredient UNII CAS InChI Key Quizartinib dihydrochloride WK7Q6ZIZ10 1132827-21-4 DHYPGRVMIOATAE-UHFFFAOYSA-N
Categories
- ATC Codes
- L01XE52 — Quizartinib
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Imidazoles
- Direct Parent
- Phenylimidazoles
- Alternative Parents
- N-phenylureas / Benzothiazoles / Alkyl aryl ethers / N-substituted imidazoles / Morpholines / Imidolactams / Thiazoles / Heteroaromatic compounds / Isoxazoles / Ureas show 8 more
- Substituents
- 1,3-benzothiazole / 4-phenylimidazole / 5-phenylimidazole / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonic acid derivative / Carbonyl group show 22 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Chemical Identifiers
- UNII
- 7LA4O6Q0D3
- CAS number
- 950769-58-1
- InChI Key
- CVWXJKQAOSCOAB-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
- IUPAC Name
- 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-{10-[2-(morpholin-4-yl)ethoxy]-7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(8),3,5,9,11-pentaen-4-yl}phenyl)urea
- SMILES
- CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1
References
- General References
- Not Available
- External Links
- KEGG Drug
- D09955
- PubChem Compound
- 24889392
- PubChem Substance
- 347829030
- ChemSpider
- 24640357
- BindingDB
- 50300690
- ChEBI
- 90217
- ChEMBL
- CHEMBL576982
- ZINC
- ZINC000043204002
- PDBe Ligand
- P30
- Wikipedia
- Quizartinib
- PDB Entries
- 4rt7 / 4xuf
Clinical Trials
- Clinical Trials
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 0.0509 mg/mL ALOGPS logP 5.13 ALOGPS logP 5.16 ChemAxon logS -4 ALOGPS pKa (Strongest Acidic) 10.43 ChemAxon pKa (Strongest Basic) 6.62 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 106.16 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 168.24 m3·mol-1 ChemAxon Polarizability 61.51 Å3 ChemAxon Number of Rings 6 ChemAxon Bioavailability 0 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Vascular endothelial growth factor-activated receptor activity
- Specific Function
- Tyrosine-protein kinase that acts as cell-surface receptor for the cytokine FLT3LG and regulates differentiation, proliferation and survival of hematopoietic progenitor cells and of dendritic cells...
- Gene Name
- FLT3
- Uniprot ID
- P36888
- Uniprot Name
- Receptor-type tyrosine-protein kinase FLT3
- Molecular Weight
- 112902.51 Da
Drug created on October 20, 2016 18:57 / Updated on October 19, 2020 02:19
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