NAV

Lapaquistat

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

Identification

Generic Name
Lapaquistat
DrugBank Accession Number
DB16215
Background

Lapaquistat is under investigation in clinical trial NCT00256178 (Efficacy of Lapaquistat Acetate and Simvastatin in Subjects With Primary Dyslipidemia.).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 603.11
Monoisotopic: 602.2394939
Chemical Formula
C31H39ClN2O8
Synonyms
  • Lapaquistat
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
PEZ79BV72X
CAS number
189059-71-0
InChI Key
HDGUKVZPMPJBFK-LEAFIULHSA-N
InChI
InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28-/m1/s1
IUPAC Name
2-(1-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}piperidin-4-yl)acetic acid
SMILES
COC1=CC=CC([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)CO)C3=C2C=C(Cl)C=C3)=C1OC

References

General References
Not Available
ChemSpider
8135996
BindingDB
50118898
ChEMBL
CHEMBL341976
Wikipedia
Lapaquistat

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDyslipidemia2
3CompletedTreatmentHigh Cholesterol6
3CompletedTreatmentType 2 Diabetes Mellitus1
3TerminatedTreatmentHigh Cholesterol4
2CompletedTreatmentHigh Cholesterol1

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 Solubility0.0205 mg/mLALOGPS
logP3.2ALOGPS
logP2.9Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)4.28Chemaxon
pKa (Strongest Basic)-1.4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area125.84 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity156.08 m3·mol-1Chemaxon
Polarizability63.19 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-0udi-2100049000-5f390d50807e413ddf97
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0020169000-3b03f26b3b899f282b43
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-0009811000-f423dbd57256e2362fac
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udu-1004492000-7b2e747f4d0e8509f413
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fki-0419422000-65493c2c4f7886b8c4fb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-3527892000-4060c8a7cb551859d02c
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:15 / Updated at February 21, 2021 18:55