This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Anacetrapib
- DrugBank Accession Number
- DB06630
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Anacetrapib (DB06630)
- Weight
- Average: 637.518
Monoisotopic: 637.167475299 - Chemical Formula
- C30H25F10NO3
- Synonyms
- Anacetrapib
- External IDs
- MK-0859
- MK0859
Pharmacology
- Indication
Investigated for use/treatment in hyperlipidemia.
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.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
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Anisole / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Biphenyl / Carbamic acid ester show 22 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- P7T269PR6S
- CAS number
- 875446-37-0
- 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
References
- General References
- Not Available
- External Links
- ChemSpider
- 9731205
- BindingDB
- 50348228
- ChEMBL
- CHEMBL1800807
- ZINC
- ZINC000068087592
- Wikipedia
- Anacetrapib
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Prevention Atherosclerotic Cardiovascular Diseases 1 3 Completed Treatment CHD Risk-Equivalent Disease / Coronary Heart Disease (CHD) 1 3 Completed Treatment Dyslipidemia 1 3 Completed Treatment Heterozygous Familial Hypercholesterolemia (HeFH) 1 3 Completed Treatment High Cholesterol 2 3 Completed Treatment Hyperlipoproteinemia Type II / Primary Hypercholesterolemia 1 3 Terminated Treatment Homozygous Familial Hypercholesterolaemia (HoFH) / Hyperlipoproteinemia Type II 1 2 Completed Treatment Dyslipidemia 1 2 Terminated Treatment High Cholesterol / Mixed Hyperlipemia 1 1 Completed Not Available Ambulatory Blood Pressure 1
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
Property Value Source Water Solubility 0.00192 mg/mL ALOGPS logP 6.77 ALOGPS logP 9.3 Chemaxon logS -5.5 ALOGPS pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 141.16 m3·mol-1 Chemaxon Polarizability 54.18 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at March 19, 2008 16:41 / Updated at February 21, 2021 18:52