Liafensine

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

Identification

Generic Name
Liafensine
DrugBank Accession Number
DB14878
Background

Liafensine is under investigation in clinical trial NCT00892840 (Multiple-Ascending Dose Study).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 366.468
Monoisotopic: 366.184446724
Chemical Formula
C24H22N4
Synonyms
  • BMS-820836
  • Liafensine

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
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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
R34ID086Z6
CAS number
1198790-53-2
InChI Key
VCIBGDSRPUOBOG-QFIPXVFZSA-N
InChI
InChI=1S/C24H22N4/c1-28-14-20-13-19(23-10-11-24(25)27-26-23)8-9-21(20)22(15-28)18-7-6-16-4-2-3-5-17(16)12-18/h2-13,22H,14-15H2,1H3,(H2,25,27)/t22-/m0/s1
IUPAC Name
6-[(4S)-2-methyl-4-(naphthalen-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine
SMILES
CN1C[C@@H](C2=CC3=C(C=CC=C3)C=C2)C2=CC=C(C=C2C1)C1=NN=C(N)C=C1

References

General References
Not Available
ChemSpider
29271896
ChEMBL
CHEMBL2364614
Wikipedia
Liafensine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDepression2
2RecruitingTreatmentMajor depressive disorder, recurrent episode1
2TerminatedTreatmentDepression1
1CompletedTreatmentDepression3

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 Solubility0.00161 mg/mLALOGPS
logP4.43ALOGPS
logP4.04Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)8.91Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area55.04 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity116.41 m3·mol-1Chemaxon
Polarizability42.05 Å3Chemaxon
Number of Rings5Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-85b95522e37c60afb756
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0139000000-1fdf7aa4bd17c0c6b0e3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-07vi-0009000000-9d2af83306db92602f9a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-02t9-0009000000-5e6e4bfde096266959c4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0193000000-1f8925312a4b2ec2a6e3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-074i-0059000000-87ccea1cb08d04d0efd6
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]-211.9228654
predicted
DarkChem Lite v0.1.0
[M+H]+210.9207654
predicted
DarkChem Lite v0.1.0
[M+Na]+211.4855654
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:32 / Updated at February 21, 2021 18:54