Imagabalin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Imagabalin
- DrugBank Accession Number
- DB12105
- Background
Imagabalin has been investigated in Generalized Anxiety Disorder.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 173.256
Monoisotopic: 173.141578856 - Chemical Formula
- C9H19NO2
- Synonyms
- Imagabalin
- External IDs
- PD 0332334
- PD-0332334
- PF-00195889
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 CNS depression can be increased when Imagabalin is combined with 1,2-Benzodiazepine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Imagabalin. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Imagabalin. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Imagabalin. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Imagabalin. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Imagabalin Hydrochloride MJ3F8ZA7Q1 610300-00-0 CFMZXQJDAJXNHS-WLYNEOFISA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Beta amino acids and derivatives
- Alternative Parents
- Medium-chain fatty acids / Branched fatty acids / Amino fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Amino fatty acid / Beta amino acid or derivatives / Branched fatty acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl show 11 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- NDG6931B7H
- CAS number
- 610300-07-7
- InChI Key
- JXEHXYFSIOYTAH-SFYZADRCSA-N
- InChI
- InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
- IUPAC Name
- (3S,5R)-3-amino-5-methyloctanoic acid
- SMILES
- CCC[C@@H](C)C[C@H](N)CC(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10236037
- PubChem Substance
- 347828406
- ChemSpider
- 8411525
- ChEMBL
- CHEMBL2103836
- Wikipedia
- Imagabalin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Generalized Anxiety Disorder 1 3 Terminated Treatment Anxiety Disorders 1 3 Terminated Treatment Generalized Anxiety Disorder 4 3 Withdrawn Treatment Generalized Anxiety Disorder 1 2 Completed Treatment Generalized Anxiety Disorder 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 3.01 mg/mL ALOGPS logP -0.48 ALOGPS logP -0.61 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 4.53 Chemaxon pKa (Strongest Basic) 10.54 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 48 m3·mol-1 Chemaxon Polarizability 20.09 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-000l-9200000000-0b15f1942daccc4c114e Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-022c-9300000000-cf77f877265ecdfa31f6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0900000000-17bbf1529ac81021ce39 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03mi-5900000000-b1ef1b8a13c33cc8dde8 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-9bf23aaa5c95fc8c35aa Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-16199fef9069130f8c0c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-c48e09eed1265d428c20 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]- 139.81407 predictedDeepCCS 1.0 (2019) [M+H]+ 142.67165 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.2584 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:21 / Updated at February 21, 2021 18:53