Fanapanel
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Fanapanel
- DrugBank Accession Number
- DB12393
- Background
Fanapanel has been investigated for the treatment of Visual Acuity.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 409.2544
Monoisotopic: 409.065056354 - Chemical Formula
- C14H15F3N3O6P
- Synonyms
- Fanapanel
- External IDs
- ZK-200775
- ZK200775
Pharmacology
- Indication
Not Available
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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 quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazanaphthalenes
- Sub Class
- Benzodiazines
- Direct Parent
- Quinoxalines
- Alternative Parents
- Dialkylarylamines / Benzenoids / Pyrazines / Morpholines / Organic phosphonic acids / Heteroaromatic compounds / Lactams / Azacyclic compounds / Dialkyl ethers / Oxacyclic compounds show 6 more
- Substituents
- Alkyl fluoride / Alkyl halide / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Dialkyl ether / Dialkylarylamine / Ether / Heteroaromatic compound show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- E3AP71EM0O
- CAS number
- 161605-73-8
- InChI Key
- WZMQMKNCWDCCMT-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
- IUPAC Name
- {[7-(morpholin-4-yl)-2,3-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}phosphonic acid
- SMILES
- OP(O)(=O)CN1C(=O)C(=O)NC2=C1C=C(N1CCOCC1)C(=C2)C(F)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 208953
- PubChem Substance
- 347828640
- ChemSpider
- 181046
- BindingDB
- 50099458
- ChEMBL
- CHEMBL19892
- ZINC
- ZINC000002004553
- PDBe Ligand
- ZK1
- Wikipedia
- Fanapanel
- PDB Entries
- 3kg2 / 3kgc / 4u4g / 4uqj / 5kbs / 5kbt / 5kbu / 5kbv / 5vhw / 5vhx … show 30 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Visual Acuity 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 2.89 mg/mL ALOGPS logP 0.83 ALOGPS logP 0.22 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 1.54 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.41 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 88.1 m3·mol-1 Chemaxon Polarizability 33.21 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 splash10-03di-0001900000-369b0d6b09365d6c8141 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0007900000-aa12cd652663f52a7cab Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-1003900000-75b712b7719e38dea68d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-06vi-9003400000-a47ec417cf4a0bc01f65 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-02os-0098000000-5bc13f94f3e21b749ec2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0imr-6009000000-eb1a0d9107f660beba35 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 170.52104 predictedDeepCCS 1.0 (2019) [M+H]+ 172.87903 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.97218 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:11 / Updated at February 21, 2021 18:53