Anacetrapib

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

Identification

Name
Anacetrapib
Accession Number
DB06630
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
MK-0859 / MK0859
Categories
UNII
P7T269PR6S
CAS number
875446-37-0
Weight
Average: 637.518
Monoisotopic: 637.167475299
Chemical Formula
C30H25F10NO3
InChI Key
MZZLGJHLQGUVPN-HAWMADMCSA-N
InChI
InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
IUPAC Name
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
SMILES
COC1=CC(F)=C(C=C1C1=CC=C(C=C1CN1[C@@H](C)[C@H](OC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C

Pharmacology

Indication

Investigated for use/treatment in hyperlipidemia.

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
9731205
BindingDB
50348228
ChEMBL
CHEMBL1800807
Wikipedia
Anacetrapib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableAmbulatory Blood Pressure1
1CompletedTreatmentDyslipidemias3
1CompletedTreatmentHigh Cholesterol / Hyperlipidemias1
2CompletedTreatmentDyslipidemias1
2TerminatedTreatmentHigh Cholesterol / Mixed Hyperlipemia1
3Active Not RecruitingPreventionAtherosclerotic Cardiovascular Diseases1
3Active Not RecruitingTreatmentHeterozygous Familial Hypercholesterolemia / Hyperlipoproteinemia Type II1
3CompletedTreatmentCHD Risk-Equivalent Disease / Coronary Heart Disease (CHD)1
3CompletedTreatmentDyslipidemias1
3CompletedTreatmentHeterozygous Familial Hypercholesterolemia (HeFH)1
3CompletedTreatmentHigh Cholesterol2
3TerminatedTreatmentHomozygous Familial Hypercholesterolemia / Hyperlipoproteinemia Type II1
Not AvailableCompletedNot AvailableAtherosclerotic Cardiovascular Diseases / Vascular Diseases1

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 Solubility0.00192 mg/mLALOGPS
logP6.77ALOGPS
logP9.3ChemAxon
logS-5.5ALOGPS
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area38.77 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity141.16 m3·mol-1ChemAxon
Polarizability54.18 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
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/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 biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Biphenyls and derivatives
Direct Parent
Biphenyls and derivatives
Alternative Parents
Trifluoromethylbenzenes / Phenylpropanes / Cumenes / Phenoxy compounds / Anisoles / Methoxybenzenes / Alkyl aryl ethers / Fluorobenzenes / Oxazolidinones / Aryl fluorides
show 9 more
Substituents
Biphenyl / Trifluoromethylbenzene / Cumene / Phenylpropane / Phenoxy compound / Anisole / Methoxybenzene / Phenol ether / Alkyl aryl ether / Halobenzene
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:41 / Updated on November 02, 2018 06:18