Melitracen

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

Identification

Name
Melitracen
Accession Number
DB13384
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
Q7T0Y1109Z
CAS number
5118-29-6
Weight
Average: 291.438
Monoisotopic: 291.198699809
Chemical Formula
C21H25N
InChI Key
GWWLWDURRGNSRS-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3
IUPAC Name
[3-(10,10-dimethyl-9,10-dihydroanthracen-9-ylidene)propyl]dimethylamine
SMILES
CN(C)CCC=C1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12

Pharmacology

Indication
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
DrugInteraction
(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINEThe serum concentration of Melitracen can be increased when it is combined with (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE.
1,10-PhenanthrolineThe serum concentration of Melitracen can be increased when it is combined with 1,10-Phenanthroline.
2,5-Dimethoxy-4-ethylamphetamineMelitracen may increase the stimulatory activities of 2,5-Dimethoxy-4-ethylamphetamine.
2,5-Dimethoxy-4-ethylthioamphetamineMelitracen may increase the stimulatory activities of 2,5-Dimethoxy-4-ethylthioamphetamine.
3,4-DichloroisocoumarinThe serum concentration of Melitracen can be increased when it is combined with 3,4-Dichloroisocoumarin.
3,4-MethylenedioxyamphetamineMelitracen may increase the stimulatory activities of 3,4-Methylenedioxyamphetamine.
4-(2-Aminoethyl)Benzenesulfonyl FluorideThe serum concentration of Melitracen can be increased when it is combined with 4-(2-Aminoethyl)Benzenesulfonyl Fluoride.
4-Bromo-2,5-dimethoxyamphetamineMelitracen may increase the stimulatory activities of 4-Bromo-2,5-dimethoxyamphetamine.
4-MethoxyamphetamineMelitracen may decrease the antihypertensive activities of 4-Methoxyamphetamine.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the serotonergic activities of Melitracen.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
23697
BindingDB
112783
ChEBI
135214
ChEMBL
CHEMBL110094
Wikipedia
Melitracen
ATC Codes
N06CA02 — Melitracen and psycholepticsN06AA14 — Melitracen

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentGlobus1
Not AvailableNot Yet RecruitingNot AvailableGastro-esophageal Reflux Disease (GERD)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 Solubility0.00318 mg/mLALOGPS
logP5.4ALOGPS
logP4.95ChemAxon
logS-5ALOGPS
pKa (Strongest Basic)9.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.24 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity116.42 m3·mol-1ChemAxon
Polarizability36.16 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 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 anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Anthracenes
Sub Class
Not Available
Direct Parent
Anthracenes
Alternative Parents
Trialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Anthracene / Tertiary aliphatic amine / Tertiary amine / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound / Amine / Aromatic homopolycyclic compound
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:41 / Updated on August 02, 2018 06:51