This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Taranabant
- DrugBank Accession Number
- DB06624
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Taranabant (DB06624)
- Weight
- Average: 515.96
Monoisotopic: 515.1587392 - Chemical Formula
- C27H25ClF3N3O2
- Synonyms
- Taranabant
- External IDs
- MK-0364
- MK-0634
Pharmacology
- Indication
Investigated for use/treatment in obesity.
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of adverse effects can be increased when Taranabant is combined with 1,2-Benzodiazepine. Acebutolol The risk or severity of Tachycardia can be increased when Taranabant is combined with Acebutolol. Acetazolamide The risk or severity of adverse effects can be increased when Taranabant is combined with Acetazolamide. Acetophenazine The risk or severity of adverse effects can be increased when Taranabant is combined with Acetophenazine. Aclidinium The risk or severity of Tachycardia and drowsiness can be increased when Aclidinium is combined with Taranabant. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Stilbenes
- Sub Class
- Not Available
- Direct Parent
- Stilbenes
- Alternative Parents
- Phenylpropanes / Benzonitriles / Alkyl aryl ethers / Chlorobenzenes / Pyridines and derivatives / Aryl chlorides / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds / Nitriles show 6 more
- Substituents
- Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Benzonitrile / Carbonitrile show 24 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- X9U622S114
- CAS number
- 701977-09-5
- InChI Key
- QLYKJCMUNUWAGO-GAJHUEQPSA-N
- InChI
- InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
- IUPAC Name
- N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
- SMILES
- C[C@H](NC(=O)C(C)(C)OC1=CC=C(C=N1)C(F)(F)F)[C@@H](CC1=CC=C(Cl)C=C1)C1=CC=CC(=C1)C#N
References
- General References
- Not Available
- External Links
- ChemSpider
- 9401143
- BindingDB
- 50200841
- ChEMBL
- CHEMBL220360
- ZINC
- ZINC000028701758
- PDBe Ligand
- 7DY
- Wikipedia
- Taranabant
- PDB Entries
- 5u09
Clinical Trials
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 0.000596 mg/mL ALOGPS logP 6.03 ALOGPS logP 6.8 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 13.74 Chemaxon pKa (Strongest Basic) 1.59 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 75.01 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 132.14 m3·mol-1 Chemaxon Polarizability 50.13 Å3 Chemaxon Number of Rings 3 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)
Adduct CCS Value (Å2) Source type Source [M-H]- 206.45045 predictedDeepCCS 1.0 (2019) [M+H]+ 208.75432 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.66504 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:41 / Updated at February 21, 2021 18:52