This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ibipinabant
- DrugBank Accession Number
- DB12649
- Background
Ibipinabant has been used in trials studying the treatment of Obesity and Obesity and Type 2 Diabetes.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Ibipinabant (DB12649)
- Weight
- Average: 487.4
Monoisotopic: 486.0684025 - Chemical Formula
- C23H20Cl2N4O2S
- Synonyms
- Ibipinabant
- Ibipinabantum
- External IDs
- BMS-646256
- JD 5001
- SLV-319
Pharmacology
- Indication
Not Available
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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of adverse effects can be increased when Ibipinabant is combined with 1,2-Benzodiazepine. Acebutolol The risk or severity of Tachycardia can be increased when Ibipinabant is combined with Acebutolol. Acetazolamide The risk or severity of adverse effects can be increased when Ibipinabant is combined with Acetazolamide. Acetophenazine The risk or severity of adverse effects can be increased when Ibipinabant is combined with Acetophenazine. Aclidinium The risk or severity of Tachycardia and drowsiness can be increased when Aclidinium is combined with Ibipinabant. Adenosine The risk or severity of Tachycardia can be increased when Adenosine is combined with Ibipinabant. Agomelatine The risk or severity of adverse effects can be increased when Ibipinabant is combined with Agomelatine. Alfentanil The risk or severity of adverse effects can be increased when Ibipinabant is combined with Alfentanil. Alimemazine The risk or severity of adverse effects can be increased when Ibipinabant is combined with Alimemazine. Almotriptan The risk or severity of adverse effects can be increased when Ibipinabant is combined with Almotriptan. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - 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
- Phenylpyrazoles / Benzenesulfonamides / Benzenesulfonyl compounds / Chlorobenzenes / Aryl chlorides / Pyrazolines / Organosulfonic acids and derivatives / Aminosulfonyl compounds / Guanidines / Propargyl-type 1,3-dipolar organic compounds show 5 more
- Substituents
- Aminosulfonyl compound / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenesulfonamide / Benzenesulfonyl group / Benzenoid / Chlorobenzene / Guanidine show 20 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- O5CSC6WH1T
- CAS number
- 464213-10-3
- InChI Key
- AXJQVVLKUYCICH-OAQYLSRUSA-N
- InChI
- InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1
- IUPAC Name
- (4S)-N'-(4-chlorobenzenesulfonyl)-3-(4-chlorophenyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
- SMILES
- CNC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)N1C[C@@H](C(=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9826744
- PubChem Substance
- 347828856
- ChemSpider
- 8002487
- BindingDB
- 50230537
- ChEMBL
- CHEMBL412262
- ZINC
- ZINC000003964747
- Wikipedia
- Ibipinabant
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Obesity (Disorder) 1 2, 3 Withdrawn Treatment Obesity and Type 2 Diabetes 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 0.00176 mg/mL ALOGPS logP 4.83 ALOGPS logP 5.16 ChemAxon logS -5.4 ALOGPS pKa (Strongest Acidic) 13.75 ChemAxon pKa (Strongest Basic) 1.6 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 74.13 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 127.45 m3·mol-1 ChemAxon Polarizability 49.54 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No 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 October 20, 2016 23:26 / Updated at February 21, 2021 18:53