Fanapanel

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Fanapanel
Accession Number
DB12393
Type
Small Molecule
Groups
Investigational
Description

Fanapanel has been investigated for the treatment of Visual Acuity.

Structure
Thumb
Synonyms
Not Available
External IDs
ZK-200775 / ZK200775
Categories
UNII
E3AP71EM0O
CAS number
161605-73-8
Weight
Average: 409.2544
Monoisotopic: 409.065056354
Chemical Formula
C14H15F3N3O6P
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

Pharmacology

Indication
Not Available
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
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

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 13 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentVisual Acuity1

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
PropertyValueSource
Water Solubility2.89 mg/mLALOGPS
logP0.83ALOGPS
logP0.22ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)1.54ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area119.41 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity88.1 m3·mol-1ChemAxon
Polarizability33.21 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Quinoxaline / Tertiary aliphatic/aromatic amine / Dialkylarylamine / Morpholine / Oxazinane / Pyrazine / Benzenoid / Heteroaromatic compound / Organophosphonic acid / Organophosphonic acid derivative
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:11 / Updated on March 01, 2020 21:11

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