NAV

Fiboflapon

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

Identification

Generic Name
Fiboflapon
DrugBank Accession Number
DB06346
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 637.84
Monoisotopic: 637.297428051
Chemical Formula
C38H43N3O4S
Synonyms
  • Fiboflapon
External IDs
  • AM 803
  • AM-803
  • GSK-2190915
  • GSK2190915
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Pharmacology

Indication

Investigated for use/treatment in inflammatory disorders (unspecified).

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

FLAP (5-Lipoxygenase Activating Protein) is a key component early in the leukotriene pathway, a complex signaling process that exerts control over biological processes, such as inflammation and immunity. Excessive production of leukotrienes exacerbates inflammatory diseases, such as asthma; the FLAP gene has also been linked to a significant increase in the risk of myocardial infarction and stroke. AM803 binds to FLAP, inhibiting the synthesis of leukotrienes that cause inflammation. [Amira Pharmaceuticals Website]

TargetActionsOrganism
UArachidonate 5-lipoxygenase-activating proteinNot AvailableHumans
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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

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Product Ingredients
IngredientUNIICASInChI Key
Fiboflapon Sodium75YS00XOG31196070-26-4NOJNFULGOQGBKB-UHFFFAOYSA-M

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Phenylpyridines
Direct Parent
Phenylpyridines
Alternative Parents
N-alkylindoles / Indoles / Phenol ethers / Alkyl aryl ethers / Alkylarylthioethers / Methylpyridines / Substituted pyrroles / Benzene and substituted derivatives / Heteroaromatic compounds / Sulfenyl compounds
show 7 more
Substituents
3-phenylpyridine / Alkyl aryl ether / Alkylarylthioether / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Y1NA96IX3T
CAS number
936350-00-4
InChI Key
DFQGDHBGRSTTHX-UHFFFAOYSA-N
InChI
InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
IUPAC Name
3-[3-(tert-butylsulfanyl)-1-{[4-(6-ethoxypyridin-3-yl)phenyl]methyl}-5-[(5-methylpyridin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
SMILES
CCOC1=CC=C(C=N1)C1=CC=C(CN2C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1

References

General References
Not Available
ChemSpider
25069707
BindingDB
50359080
ChEMBL
CHEMBL1922660
ZINC
ZINC000068247071

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticAsthma1
2CompletedTreatmentAsthma6
2TerminatedTreatmentAsthma1
1CompletedBasic ScienceAsthma1
1CompletedOtherAsthma1

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
PropertyValueSource
Water Solubility0.000146 mg/mLALOGPS
logP7.63ALOGPS
logP7.92Chemaxon
logS-6.6ALOGPS
pKa (Strongest Acidic)4.67Chemaxon
pKa (Strongest Basic)4.06Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area86.47 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity186.32 m3·mol-1Chemaxon
Polarizability73.86 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-052r-0800019000-8f49716ddae76093eaff
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000039000-d5ec44e5c50060f71d5b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f8i-0000290000-69509f7f7530fa26c849
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0k9f-0000294000-f120d3da5acf5c0f7cef
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052o-7000394000-67a6f70c8bdd2e719668
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-059i-1002491000-b80989e46ff9c5bd42f3
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-279.8634712
predicted
DarkChem Lite v0.1.0
[M-H]-243.33511
predicted
DeepCCS 1.0 (2019)
[M+H]+279.5112712
predicted
DarkChem Lite v0.1.0
[M+H]+245.37946
predicted
DeepCCS 1.0 (2019)
[M+Na]+280.2543712
predicted
DarkChem Lite v0.1.0
[M+Na]+251.11989
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Arachidonate 5-lipoxygenase-activating protein
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein n-terminus binding
Specific Function
Required for leukotriene biosynthesis by ALOX5 (5-lipoxygenase). Anchors ALOX5 to the membrane. Binds arachidonic acid, and could play an essential role in the transfer of arachidonic acid to ALOX5...
Gene Name
ALOX5AP
Uniprot ID
P20292
Uniprot Name
Arachidonate 5-lipoxygenase-activating protein
Molecular Weight
18156.96 Da

Drug created at March 19, 2008 16:25 / Updated at February 21, 2021 18:52