Identification
- Generic Name
- Adipiplon
- DrugBank Accession Number
- DB06579
- Background
Adipiplon is an nonbenzodiazepine anxiolytic developed by Neurogen Corporation. It is known by the standardized identifier NG2-73.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Adipiplon (DB06579)
- Weight
- Average: 351.389
Monoisotopic: 351.160771771 - Chemical Formula
- C18H18FN7
- Synonyms
- Adipiplon
- External IDs
- NG2-73
Pharmacology
- Indication
Investigated for use/treatment in insomnia and sleep disorders.
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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
Target Actions Organism AGABA(A) Receptor Benzodiazepine Binding Site partial agonistHumans - 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 CNS depression can be increased when Adipiplon is combined with 1,2-Benzodiazepine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Adipiplon. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Adipiplon. Agomelatine The risk or severity of CNS depression can be increased when Adipiplon is combined with Agomelatine. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Adipiplon. Alimemazine The risk or severity of CNS depression can be increased when Alimemazine is combined with Adipiplon. Almotriptan The risk or severity of CNS depression can be increased when Almotriptan is combined with Adipiplon. Alosetron The risk or severity of CNS depression can be increased when Alosetron is combined with Adipiplon. Alprazolam The risk or severity of CNS depression can be increased when Alprazolam is combined with Adipiplon. Alverine The risk or severity of CNS depression can be increased when Alverine is combined with Adipiplon. 
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 triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Triazolopyrimidines
- Sub Class
- Not Available
- Direct Parent
- Triazolopyrimidines
- Alternative Parents
- Pyrimidines and pyrimidine derivatives / Pyridines and derivatives / N-substituted imidazoles / Aryl fluorides / Triazoles / Heteroaromatic compounds / Azacyclic compounds / Organonitrogen compounds / Organofluorides / Hydrocarbon derivatives
- Substituents
- 1,2,4-triazole / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / N-substituted imidazole
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- OPL214POJ1
- CAS number
- 840486-93-3
- InChI Key
- UAMAIHOEGLEXSV-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3
- IUPAC Name
- 3-fluoro-2-[1-({2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl}methyl)-1H-imidazol-2-yl]pyridine
- SMILES
- CCCC1=C(CN2C=CN=C2C2=C(F)C=CC=N2)N=CN2N=C(C)N=C12
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11198924
- PubChem Substance
- 347827777
- ChemSpider
- 9373993
- ChEMBL
- CHEMBL2103791
- ZINC
- ZINC000030691732
- Wikipedia
- Adipiplon
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Primary Insomnia 1
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 0.031 mg/mL ALOGPS logP 2.53 ALOGPS logP 3.24 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 2.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 73.79 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 116.55 m3·mol-1 Chemaxon Polarizability 35.5 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 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
Targets
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- Kind
- Protein group
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Partial agonist
- General Function
- Inhibitory extracellular ligand-gated ion channel activity
- Specific Function
- Component of the heteropentameric receptor for GABA, the major inhibitory neurotransmitter in the vertebrate brain. Functions also as histamine receptor and mediates cellular responses to histamine...
Components:
References
- Development of Subtype-Selective GABAA Receptor Compounds for the Treatment of Anxiety, Sleep Disorders and Epilepsy [Link]
Drug created at March 19, 2008 16:37 / Updated at February 21, 2021 18:52