Obicetrapib
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Obicetrapib
- DrugBank Accession Number
- DB14890
- Background
Obicetrapib is under investigation in clinical trial NCT02241772 (A Study on the Effects of TA-8995 on Lp(a) in Subjects With Elevated Lp(a)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 722.609
Monoisotopic: 722.215073581 - Chemical Formula
- C32H31F9N4O5
- Synonyms
- Obicetrapib
- External IDs
- TA-8995
Pharmacology
- Indication
Not Available
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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
- 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
- 8O74K609HN
- CAS number
- 866399-87-3
- InChI Key
- NRWORBQAOQVYBJ-GJZUVCINSA-N
- InChI
- InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1
- IUPAC Name
- 4-{[2-({[3,5-bis(trifluoromethyl)phenyl]methyl}[(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino)pyrimidin-5-yl]oxy}butanoic acid
- SMILES
- CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=NC=C(OCCCC(O)=O)C=N2)C2=C1C=CC(=C2)C(F)(F)F
References
- General References
- Not Available
- External Links
- ChemSpider
- 9673402
- ChEMBL
- CHEMBL3785197
- ZINC
- ZINC000161884690
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Atherosclerotic Cardiovascular Diseases / Dyslipidemia / High Cholesterol / Primary Hypercholesterolemia 1 3 Active Not Recruiting Treatment Dyslipidemia / Genetic Diseases, Inborn / High Cholesterol / Hyperlipoproteinemia (a) / Inborn errors of lipid metabolism / Metabolic Diseases / Metabolism Disorder, Lipid / Primary Hypercholesterolemia 1 3 Not Yet Recruiting Prevention Coronary Artery Disease (CAD) / Lipidemia / Plaque, Atherosclerotic 1 3 Recruiting Treatment ASCVD / Dyslipidemia / High Cholesterol / Primary Hypercholesterolemia 1 3 Recruiting Treatment Atherosclerotic Cardiovascular Diseases 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 0.00921 mg/mL ALOGPS logP 5.63 ALOGPS logP 7.42 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 3.45 Chemaxon pKa (Strongest Basic) 2.26 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 105.09 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 162.11 m3·mol-1 Chemaxon Polarizability 64.14 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:33 / Updated at February 21, 2021 18:54