Indiplon

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Indiplon
DrugBank Accession Number
DB12590
Background

Indiplon has been used in trials studying the treatment of Insomnia and Depression.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 376.43
Monoisotopic: 376.099396945
Chemical Formula
C20H16N4O2S
Synonyms
  • Indiplon
External IDs
  • NBI-34060

Pharmacology

Indication

Not Available

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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

Hover over products below to view reaction partners

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 1,2-Benzodiazepine is combined with Indiplon.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Indiplon.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Indiplon.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Indiplon.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Indiplon.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Phenylpyrimidines
Alternative Parents
Acetanilides / Pyrazolo[1,5-a]pyrimidines / Thiophene carboxylic acids and derivatives / Aryl ketones / Vinylogous amides / Tertiary carboxylic acid amides / Pyrazoles / Heteroaromatic compounds / Acetamides / Azacyclic compounds
show 3 more
Substituents
4-phenylpyrimidine / Acetamide / Acetanilide / Anilide / Aromatic heteropolycyclic compound / Aryl ketone / Azacycle / Azole / Benzenoid / Carbonyl group
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8BT63DA42E
CAS number
325715-02-4
InChI Key
CBIAWPMZSFFRGN-UHFFFAOYSA-N
InChI
InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
IUPAC Name
N-methyl-N-{3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}acetamide
SMILES
CN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1

References

General References
Not Available
PubChem Compound
6450813
PubChem Substance
347828809
ChemSpider
4953363
BindingDB
86522
ChEMBL
CHEMBL262075
ZINC
ZINC000000538650
Wikipedia
Indiplon

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentDepression / Insomnia1
3WithdrawnTreatmentInsomnia1

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
PropertyValueSource
Water Solubility0.00449 mg/mLALOGPS
logP3.01ALOGPS
logP2.69Chemaxon
logS-4.9ALOGPS
pKa (Strongest Basic)0.96Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area67.57 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity114.23 m3·mol-1Chemaxon
Polarizability39.66 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-MSsplash10-01q9-2809000000-549429043e75330c031d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-002r-0009000000-d0decdaa70ef4eff4787
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-003r-0009000000-ddeef0c62bf6b79ce79b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-003r-1049000000-a9875ab5aff43b1c9be4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-2e3ba2b331e75e5e77ec
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00te-2091000000-4ce3a8088c5ef129cd10
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fkj-0196000000-fff33255ef0f8e7269cc
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]-207.7585779
predicted
DarkChem Lite v0.1.0
[M-H]-179.906
predicted
DeepCCS 1.0 (2019)
[M+H]+208.2392779
predicted
DarkChem Lite v0.1.0
[M+H]+182.264
predicted
DeepCCS 1.0 (2019)
[M+Na]+208.2101779
predicted
DarkChem Lite v0.1.0
[M+Na]+189.63777
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:04 / Updated at February 21, 2021 18:53