Idalopirdine

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

Identification

Generic Name
Idalopirdine
DrugBank Accession Number
DB11957
Background

Idalopirdine has been used in trials studying the treatment of Cognition, Schizophrenia, and Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 398.377
Monoisotopic: 398.141754055
Chemical Formula
C20H19F5N2O
Synonyms
  • Idalopirdine
External IDs
  • LU AE-58054
  • LU AE58054
  • LU-AE-58054

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
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 Idalopirdine is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Idalopirdine is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Idalopirdine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Idalopirdine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Idalopirdine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Idalopirdine Hydrochloride545BT5182Y467458-02-2KXOQNPANAFXKTN-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Tryptamines and derivatives
Direct Parent
Tryptamines and derivatives
Alternative Parents
3-alkylindoles / Phenylmethylamines / Phenoxy compounds / Phenol ethers / Benzylamines / Aralkylamines / Alkyl aryl ethers / Substituted pyrroles / Aryl fluorides / Heteroaromatic compounds
show 5 more
Substituents
3-alkylindole / Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
59WCJ0YNWM
CAS number
467459-31-0
InChI Key
YBAWYTYNMZWMMJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
IUPAC Name
[2-(6-fluoro-1H-indol-3-yl)ethyl]({[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl})amine
SMILES
FC(F)C(F)(F)COC1=CC=CC(CNCCC2=CNC3=CC(F)=CC=C23)=C1

References

General References
Not Available
PubChem Compound
21071390
PubChem Substance
347828282
ChemSpider
19878969
BindingDB
50019754
ChEMBL
CHEMBL3286580
ZINC
ZINC000095936819
Wikipedia
Idalopirdine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAlzheimer's Disease (AD)4
2CompletedTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentCognitive Functioning / Schizophrenia1
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedTreatmentAlzheimer's Disease (AD)1

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 Solubility0.00356 mg/mLALOGPS
logP4.66ALOGPS
logP4.8Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)16.75Chemaxon
pKa (Strongest Basic)9.59Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area37.05 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity95.67 m3·mol-1Chemaxon
Polarizability35.99 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-738c83f18dfbc1b456eb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-9957a0f38e268fa7b9ee
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dj-0619000000-5e1e60bdbcbb32c74739
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05r0-5309000000-09a5c93ff2801e235035
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-ab72adb0997f573b0d8c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fv-0912000000-e5b8cbf6ce43781abfa8
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]-190.91107
predicted
DeepCCS 1.0 (2019)
[M+H]+193.26906
predicted
DeepCCS 1.0 (2019)
[M+Na]+200.74757
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:05 / Updated at February 21, 2021 18:53