Identification
- Generic Name
- Quilseconazole
- DrugBank Accession Number
- DB17758
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Quilseconazole (DB17758)
- Weight
- Average: 513.376
Monoisotopic: 513.103571852 - Chemical Formula
- C22H14F7N5O2
- Synonyms
- 2-pyridineethanol, .alpha.-(2,4-difluorophenyl)-.beta.,.beta.-difluoro-.alpha.-(1h-tetrazol-1-ylmethyl)-5-(4-(trifluoromethoxy)phenyl)-, (.alpha.r)-
- External IDs
- VT 1129
- VT-1129
- VT1129
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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
- 7WJ1XH4Z6A
- CAS number
- 1340593-70-5
- InChI Key
- NCEHACHJIXJSPD-FQEVSTJZSA-N
- InChI
- InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m1/s1
- IUPAC Name
- (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-1,2,3,4-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
- SMILES
- O[C@@](CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C=N1)C1=CC=C(OC(F)(F)F)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58136380
- BindingDB
- 50046186
- ChEMBL
- CHEMBL3311227
- ZINC
- ZINC000144931269
- PDBe Ligand
- 81H
- PDB Entries
- 7ryx
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 logP 5.33 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 85.95 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 119.39 m3·mol-1 Chemaxon Polarizability 42.1 Å3 Chemaxon Number of Rings 4 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 08, 2023 22:04 / Updated at July 18, 2023 22:59