Ibipinabant
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- 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
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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.
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. - 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
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Terminated Treatment Obesity 1 somestatus stop reason just information to hide 2, 3 Withdrawn Treatment Obesity and Type 2 Diabetes 1 somestatus stop reason just information to hide
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 splash10-000i-0000900000-a2f8331ab74b36dce3a1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0020900000-3f7f5dfedc2c3ab2c05d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0ap0-0290300000-63f7fe531d818093b4ee Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0adu-0490200000-0486b573898a27e0ee38 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-053r-9360100000-22e33b936d4a515b2b92 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f89-9360000000-69793159fba3977f6d00 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 197.31058 predictedDeepCCS 1.0 (2019) [M+H]+ 199.70615 predictedDeepCCS 1.0 (2019) [M+Na]+ 205.61867 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:26 / Updated at February 21, 2021 18:53