NAV

NSI-189

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

Identification

Generic Name
NSI-189
DrugBank Accession Number
DB16230
Background

NSI-189 is under investigation in clinical trial NCT02695472 (Study of NSI-189 for Major Depressive Disorder).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 366.509
Monoisotopic: 366.241961602
Chemical Formula
C22H30N4O
Synonyms
Not Available
External IDs
  • NSI-189
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Pharmacology

Indication

Not Available

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

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Product Ingredients
IngredientUNIICASInChI Key
NSI-189 phosphateHX0VO60T621270138-41-4LWHMGALTTIYPJU-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YVE9U408ZL
CAS number
1270138-40-3
InChI Key
DYTOQURYRYYNOR-UHFFFAOYSA-N
InChI
InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)
IUPAC Name
3-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)pyridin-2-amine
SMILES
CC(C)CCNC1=NC=CC=C1C(=O)N1CCN(CC2=CC=CC=C2)CC1

References

General References
Not Available
ChemSpider
32701740
ChEMBL
CHEMBL4302505
ZINC
ZINC000098023167
Wikipedia
NSI-189

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2Unknown StatusTreatmentMajor Depressive Disorder (MDD)1
1CompletedTreatmentDepression2
Not AvailableUnknown StatusNot AvailableMajor Depressive Disorder (MDD)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 Solubility0.129 mg/mLALOGPS
logP3.38ALOGPS
logP3.95Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)18.9Chemaxon
pKa (Strongest Basic)6.76Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area48.47 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity112.37 m3·mol-1Chemaxon
Polarizability41.83 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-014j-0079000000-bbf09ce6f7ec831c00d5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-53729ef0b980bc8373a0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r6-6915000000-71136825cf0129db00e5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0149000000-6c471031962564adeced
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-8593000000-6c778bc43adbd513148d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00c0-0951000000-0bf553b5395b07140683
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at December 13, 2022 10:46