Veliflapon

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

Identification

Generic Name
Veliflapon
DrugBank Accession Number
DB16346
Background

Veliflapon is under investigation in clinical trial NCT00353067 (Veliflapon (Dg-031)to Prevent Heart Attacks or Stroke in Patients With a History of Heart Attack or Unstable Angina).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 361.441
Monoisotopic: 361.167793605
Chemical Formula
C23H23NO3
Synonyms
  • Veliflapon
External IDs
  • BAY X 1005
  • BAY-X-005
  • BAY-X-1005
  • DG-031

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AArachidonate 5-lipoxygenase-activating protein
inhibitor
Humans
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
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
JXH6X663L0
CAS number
128253-31-6
InChI Key
ZEYYDOLCHFETHQ-JOCHJYFZSA-N
InChI
InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
IUPAC Name
(2R)-2-cyclopentyl-2-{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
SMILES
OC(=O)[C@H](C1CCCC1)C1=CC=C(OCC2=NC3=C(C=CC=C3)C=C2)C=C1

References

General References
Not Available
ChemSpider
110292
BindingDB
50052030
ChEMBL
CHEMBL88712
ZINC
ZINC000000598193
PDBe Ligand
QY1
PDB Entries
6vgc / 6vl4

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3SuspendedPreventionAcute Coronary Syndrome (ACS)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
PropertyValueSource
Water Solubility0.000943 mg/mLALOGPS
logP5.05ALOGPS
logP4.73Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)4.09Chemaxon
pKa (Strongest Basic)3.07Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area59.42 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity102.96 m3·mol-1Chemaxon
Polarizability40.71 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0006-0309000000-3922ccfb90f13e66f607
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0509000000-d251929428745090332d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-044l-2009000000-0f512b4f9ddf54012440
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0300-0809000000-a6e4685440e25b1cedc8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01e9-0901000000-d407b9db0c878ddea69a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-044v-1935000000-58143053dbea8cbcc42c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-207.2737563
predicted
DarkChem Lite v0.1.0
[M+H]+206.9985563
predicted
DarkChem Lite v0.1.0
[M+Na]+206.4830563
predicted
DarkChem Lite v0.1.0

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
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
References
  1. Sampson AP: FLAP inhibitors for the treatment of inflammatory diseases. Curr Opin Investig Drugs. 2009 Nov;10(11):1163-72. [Article]
  2. Hatzelmann A, Fruchtmann R, Mohrs KH, Raddatz S, Matzke M, Pleiss U, Keldenich J, Muller-Peddinghaus R: Mode of action of the leukotriene synthesis (FLAP) inhibitor BAY X 1005: implications for biological regulation of 5-lipoxygenase. Agents Actions. 1994 Nov;43(1-2):64-8. doi: 10.1007/BF02005767. [Article]
  3. He W, Pelletier JP, Martel-Pelletier J, Laufer S, Di Battista JA: Synthesis of interleukin 1beta, tumor necrosis factor-alpha, and interstitial collagenase (MMP-1) is eicosanoid dependent in human osteoarthritis synovial membrane explants: interactions with antiinflammatory cytokines. J Rheumatol. 2002 Mar;29(3):546-53. [Article]

Drug created at December 15, 2020 20:03 / Updated at May 06, 2022 18:29