Ocinaplon

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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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Ocinaplon is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Ocinaplon.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Ocinaplon.
AgomelatineThe risk or severity of CNS depression can be increased when Ocinaplon is combined with Agomelatine.
AlfentanilThe 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
ChemSpider
187602
ChEMBL
CHEMBL2105199
ZINC
ZINC000000005014
Wikipedia
Ocinaplon

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0833 mg/mLALOGPS
logP1.66ALOGPS
logP1.63Chemaxon
logS-3.6ALOGPS
pKa (Strongest Basic)4.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area73.04 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity94.68 m3·mol-1Chemaxon
Polarizability30.99 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0uk9-4962000000-498c3ff6489871109882
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-a0343a1c2ab03d80cf24
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-5540ae7dd89e378bfeaf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-84d855f5b7ed782fd2ec
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0019000000-27bbe8cc364d67e5bd79
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006t-1980000000-d9168463b9d985505f4b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udj-0093000000-4eac682e160e7d8eea64
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-183.470827
predicted
DarkChem Lite v0.1.0
[M-H]-165.66394
predicted
DeepCCS 1.0 (2019)
[M+H]+184.255427
predicted
DarkChem Lite v0.1.0
[M+H]+168.02193
predicted
DeepCCS 1.0 (2019)
[M+Na]+183.942527
predicted
DarkChem Lite v0.1.0
[M+Na]+174.11508
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:36 / Updated at February 21, 2021 18:52