Metralindole

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

Identification

Name
Metralindole
Accession Number
DB09306
Type
Small Molecule
Groups
Experimental
Description

Metralindole (Inkazan) is a reversible inhibitor of monoamine oxidase A (RIMA) which was investigated in Russia as a potential antidepressant. It is structurally and pharmacologically related to pirlindole.

Structure
Thumb
Synonyms
  • Incasan
  • Inkazan
Product Ingredients
IngredientUNIICASInChI Key
Metralindole hydrochlorideM15TM76Y3L53734-79-5RQQVSZWEVNAKGW-UHFFFAOYSA-N
Categories
UNII
2QW3FL6OPA
CAS number
54188-38-4
Weight
Average: 255.321
Monoisotopic: 255.137162179
Chemical Formula
C15H17N3O
InChI Key
GVXBHSBKKJRBMS-UHFFFAOYSA-N
InChI
InChI=1S/C15H17N3O/c1-17-7-8-18-13-4-3-10(19-2)9-12(13)11-5-6-16-15(17)14(11)18/h3-4,9H,5-8H2,1-2H3
IUPAC Name
12-methoxy-4-methyl-1,4,6-triazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,9(16),10(15),11,13-pentaene
SMILES
COC1=CC2=C(C=C1)N1CCN(C)C3=NCCC2=C13

Pharmacology

Indication

Investigated for the treatment of depression.

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
Not Available
Food Interactions
Not Available

References

General References
  1. Andreeva NI, Golovina SM, Faermark MF, Shvarts GIa, Mashkovskii MD: [The comparative influence of pyrazidol, inkazan and other antidepressant monoamine oxidase inhibitors on the pressor effect of tyramine]. Farmakol Toksikol. 1991 Mar-Apr;54(2):38-40. [PubMed:1884793]
External Links
PubChem Compound
68713
PubChem Substance
310265195
ChemSpider
61964
ChEBI
135044
ChEMBL
CHEMBL1619017
Wikipedia
Metralindole

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.367 mg/mLALOGPS
logP1.62ALOGPS
logP1.61ChemAxon
logS-2.8ALOGPS
pKa (Strongest Basic)8.95ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area29.76 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity75.95 m3·mol-1ChemAxon
Polarizability28.93 Å3ChemAxon
Number of Rings4ChemAxon
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 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 beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Pyridoindoles
Direct Parent
Beta carbolines
Alternative Parents
3-alkylindoles / Anisoles / Alkyl aryl ethers / Imidolactams / Pyrroles / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Carboxamidines / Azacyclic compounds
show 2 more
Substituents
Beta-carboline / 3-alkylindole / Indole / Anisole / Alkyl aryl ether / Imidolactam / Benzenoid / Heteroaromatic compound / Pyrrole / Amidine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on November 12, 2015 09:17 / Updated on November 02, 2018 08:56