Lanicemine

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

Identification

Name
Lanicemine
Accession Number
DB11889
Type
Small Molecule
Groups
Investigational
Description

Lanicemine has been used in trials studying the treatment and basic science of Depression, Major Depressive Disorder, and Treatment Resistant Major Depressive Disorder.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD-6765 / AZD6765
Categories
UNII
9TMU325RK3
CAS number
153322-05-5
Weight
Average: 198.269
Monoisotopic: 198.115698459
Chemical Formula
C13H14N2
InChI Key
FWUQWDCOOWEXRY-ZDUSSCGKSA-N
InChI
InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1
IUPAC Name
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-amine
SMILES
N[[email protected]@H](CC1=CC=CC=N1)C1=CC=CC=C1

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with Lanicemine.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9794203
PubChem Substance
347828224
ChemSpider
7969970
ChEMBL
CHEMBL467084

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers1
1CompletedBasic ScienceDepression1
1CompletedTreatmentHealthy Volunteers1
1Not Yet RecruitingTreatmentDepression / Post Traumatic Stress Disorder (PTSD)1
1TerminatedBasic ScienceHealthy Volunteers1
1WithdrawnNot AvailableHealthy Volunteers1
2CompletedTreatmentDepression1
2CompletedTreatmentMajor Depressive Disorder (MDD)1
2CompletedTreatmentTreatment Resistant Major Depressive Disorder1

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 Solubility1.85 mg/mLALOGPS
logP1.88ALOGPS
logP1.98ChemAxon
logS-2ALOGPS
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area38.91 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity60.83 m3·mol-1ChemAxon
Polarizability21.81 Å3ChemAxon
Number of Rings2ChemAxon
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 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 aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Aralkylamines
Alternative Parents
Pyridines and derivatives / Benzene and substituted derivatives / Heteroaromatic compounds / Azacyclic compounds / Monoalkylamines / Hydrocarbon derivatives
Substituents
Aralkylamine / Benzenoid / Pyridine / Monocyclic benzene moiety / Heteroaromatic compound / Azacycle / Organoheterocyclic compound / Hydrocarbon derivative / Primary amine / Primary aliphatic amine
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:57 / Updated on December 01, 2017 16:25