Veliflapon
Star0
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 ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AArachidonate 5-lipoxygenase-activating protein inhibitorHumans - 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
- 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
- External Links
- ChemSpider
- 110292
- BindingDB
- 50052030
- ChEMBL
- CHEMBL88712
- ZINC
- ZINC000000598193
- PDBe Ligand
- QY1
- PDB Entries
- 6vgc / 6vl4
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Suspended Prevention Acute 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
Property Value Source Water Solubility 0.000943 mg/mL ALOGPS logP 5.05 ALOGPS logP 4.73 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 4.09 Chemaxon pKa (Strongest Basic) 3.07 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59.42 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 102.96 m3·mol-1 Chemaxon Polarizability 40.71 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-0006-0309000000-3922ccfb90f13e66f607 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0509000000-d251929428745090332d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-044l-2009000000-0f512b4f9ddf54012440 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0300-0809000000-a6e4685440e25b1cedc8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01e9-0901000000-d407b9db0c878ddea69a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-044v-1935000000-58143053dbea8cbcc42c 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]- 207.2737563 predictedDarkChem Lite v0.1.0 [M+H]+ 206.9985563 predictedDarkChem Lite v0.1.0 [M+Na]+ 206.4830563 predictedDarkChem 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
- Sampson AP: FLAP inhibitors for the treatment of inflammatory diseases. Curr Opin Investig Drugs. 2009 Nov;10(11):1163-72. [Article]
- 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]
- 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