NAV

Indatraline

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

Identification

Generic Name
Indatraline
DrugBank Accession Number
DB17032
Background

Indatraline is a nonselective monoamine reuptake inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 292.2
Monoisotopic: 291.0581549
Chemical Formula
C16H15Cl2N
Synonyms
  • (+/-)-trans-3-(3,4-dichlorophenyl)-n-methyl-1-indanamine
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Indatraline hydrochlorideNot Available96850-13-4Not applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4U40Y96J1Z
CAS number
86939-10-8
InChI Key
SVFXPTLYMIXFRX-XJKSGUPXSA-N
InChI
InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m0/s1
IUPAC Name
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILES
CN[C@@H]1C[C@H](C2=CC=CC=C12)C1=CC=C(Cl)C(Cl)=C1

References

General References
  1. Walton JG, Jones DC, Kiuru P, Durie AJ, Westwood NJ, Fairlamb AH: Synthesis and evaluation of indatraline-based inhibitors for trypanothione reductase. ChemMedChem. 2011 Feb 7;6(2):321-8. doi: 10.1002/cmdc.201000442. Epub 2010 Dec 15. [Article]
ChemSpider
112242
BindingDB
50095618
ChEBI
94467
ChEMBL
CHEMBL341898
ZINC
ZINC000003872906
Wikipedia
Indatraline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.000313 mg/mLALOGPS
logP4.62ALOGPS
logP4.7Chemaxon
logS-6ALOGPS
pKa (Strongest Basic)9.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity81.14 m3·mol-1Chemaxon
Polarizability30.86 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 17:18 / Updated at December 13, 2022 10:46