Ocinaplon
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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
- Ocinaplon
- DrugBank Accession Number
- DB06529
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 301.309
Monoisotopic: 301.096359994 - Chemical Formula
- C17H11N5O
- Synonyms
- Ocinaplon
- External IDs
- CL 273,547
- CL-273547
Pharmacology
- Indication
Investigated for use/treatment in anxiety disorders.
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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 Ocinaplon is combined with 1,2-Benzodiazepine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Ocinaplon. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Ocinaplon. Agomelatine The risk or severity of CNS depression can be increased when Ocinaplon is combined with Agomelatine. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Ocinaplon. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyrazolopyrimidines
- Sub Class
- Pyrazolo[1,5-a]pyrimidines
- Direct Parent
- Pyrazolo[1,5-a]pyrimidines
- Alternative Parents
- Pyridinecarboxylic acids and derivatives / Aryl ketones / Pyrimidines and pyrimidine derivatives / Vinylogous amides / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides show 1 more
- Substituents
- Aromatic heteropolycyclic compound / Aryl ketone / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Ketone / Organic nitrogen compound / Organic oxide / Organic oxygen compound show 9 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2H6KVC5E76
- CAS number
- 96604-21-6
- InChI Key
- OQJFBUOFGHPMSR-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H
- IUPAC Name
- 4-[3-(pyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine
- SMILES
- O=C(C1=C2N=CC=C(N2N=C1)C1=CC=NC=C1)C1=CC=CC=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 187602
- ChEMBL
- CHEMBL2105199
- ZINC
- ZINC000000005014
- Wikipedia
- Ocinaplon
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 0.0833 mg/mL ALOGPS logP 1.66 ALOGPS logP 1.63 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 4.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 73.04 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 94.68 m3·mol-1 Chemaxon Polarizability 30.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-0uk9-4962000000-498c3ff6489871109882 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-a0343a1c2ab03d80cf24 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-5540ae7dd89e378bfeaf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-84d855f5b7ed782fd2ec Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0019000000-27bbe8cc364d67e5bd79 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-006t-1980000000-d9168463b9d985505f4b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0udj-0093000000-4eac682e160e7d8eea64 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]- 183.470827 predictedDarkChem Lite v0.1.0 [M-H]- 165.66394 predictedDeepCCS 1.0 (2019) [M+H]+ 184.255427 predictedDarkChem Lite v0.1.0 [M+H]+ 168.02193 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.942527 predictedDarkChem Lite v0.1.0 [M+Na]+ 174.11508 predictedDeepCCS 1.0 (2019)
Drug created at March 19, 2008 16:36 / Updated at February 21, 2021 18:52