Quarfloxin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Quarfloxin
- DrugBank Accession Number
- DB06638
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 604.686
Monoisotopic: 604.25981711 - Chemical Formula
- C35H33FN6O3
- Synonyms
- Itarnafloxin
- Itarnafloxina
- Itarnafloxine
- Itarnafloxinum
- Quarfloxin
- External IDs
- CX 3543
- CX-3543
Pharmacology
- Indication
Investigated for use/treatment in leukemia (lymphoid).
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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 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzoxazines
- Sub Class
- Phenoxazines
- Direct Parent
- Phenoxazines
- Alternative Parents
- Quinoline-3-carboxamides / Fluoroquinolones / Aminoquinolines and derivatives / Haloquinolines / Hydroquinolones / Hydroquinolines / Naphthalenes / Pyridinecarboxylic acids and derivatives / Dialkylarylamines / Aralkylamines show 14 more
- Substituents
- Amine / Amino acid or derivatives / Aminoquinoline / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carboxamide group show 30 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8M31J5031Q
- CAS number
- 865311-47-3
- InChI Key
- WOQIDNWTQOYDLF-CGAIIQECSA-N
- InChI
- InChI=1S/C35H33FN6O3/c1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28/h2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44)/t23?,24-/m0/s1
- IUPAC Name
- 15-fluoro-N-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-18-oxo-14-[3-(pyrazin-2-yl)pyrrolidin-1-yl]-12-oxa-1-azapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{17,21}]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
- SMILES
- CN1CCC[C@H]1CCNC(=O)C1=CN2C3=C(OC4=C2C(=CC(F)=C4N2CCC(C2)C2=CN=CC=N2)C1=O)C=C1C=CC=CC1=C3
References
- General References
- Not Available
- External Links
- ChemSpider
- 9810507
- ChEMBL
- CHEMBL3989407
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Carcinoid Tumors / Neuroendocrine Tumors 1 2 Withdrawn Treatment B-Cell Chronic Lymphocytic Leukemia 1 1 Completed Treatment Advanced Solid Tumors / Lymphoma 1 1 Terminated Treatment Advanced Solid Tumors / Lymphoma 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 3.48 Chemaxon pKa (Strongest Acidic) 14.82 Chemaxon pKa (Strongest Basic) 9.28 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.9 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 169.69 m3·mol-1 Chemaxon Polarizability 66.2 Å3 Chemaxon Number of Rings 8 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 240.64754 predictedDeepCCS 1.0 (2019) [M+H]+ 242.65935 predictedDeepCCS 1.0 (2019) [M+Na]+ 248.57188 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:42 / Updated at February 21, 2021 18:52