Liafensine
Star1
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 29271896
- ChEMBL
- CHEMBL2364614
- Wikipedia
- Liafensine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Depression 2 2 Recruiting Treatment Major depressive disorder, recurrent episode 1 2 Terminated Treatment Depression 1 1 Completed Treatment Depression 3
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
Property Value Source Water Solubility 0.00161 mg/mL ALOGPS logP 4.43 ALOGPS logP 4.04 Chemaxon logS -5.4 ALOGPS pKa (Strongest Basic) 8.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.04 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 116.41 m3·mol-1 Chemaxon Polarizability 42.05 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-85b95522e37c60afb756 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0139000000-1fdf7aa4bd17c0c6b0e3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-07vi-0009000000-9d2af83306db92602f9a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-02t9-0009000000-5e6e4bfde096266959c4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0193000000-1f8925312a4b2ec2a6e3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-074i-0059000000-87ccea1cb08d04d0efd6 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 211.9228654 predictedDarkChem Lite v0.1.0 [M+H]+ 210.9207654 predictedDarkChem Lite v0.1.0 [M+Na]+ 211.4855654 predictedDarkChem Lite v0.1.0
Drug created at May 20, 2019 14:32 / Updated at February 21, 2021 18:54