Indiplon

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

Identification

Name
Indiplon
Accession Number
DB12590
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
NBI-34060
Categories
UNII
8BT63DA42E
CAS number
325715-02-4
Weight
Average: 376.43
Monoisotopic: 376.099396945
Chemical Formula
C20H16N4O2S
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Indiplon is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-MethylenedioxyamphetamineThe risk or severity of adverse effects can be increased when 3,4-Methylenedioxyamphetamine is combined with Indiplon.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Indiplon.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Indiplon.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Indiplon is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Indiplon.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Indiplon.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Indiplon.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Indiplon.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Indiplon.
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentDepression / Sleeplessness1
3WithdrawnTreatmentSleeplessness1

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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 / Acetanilide / Pyrazolo[1,5-a]pyrimidine / Anilide / Pyrazolopyrimidine / Aryl ketone / Thiophene carboxylic acid or derivatives / Monocyclic benzene moiety / Benzenoid / Azole
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:04 / Updated on November 02, 2018 07:27