Linopirdine

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

Identification

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Name
Linopirdine
Accession Number
DB13806
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
DUP 996
Categories
UNII
I5TB3NZ94T
CAS number
105431-72-9
Weight
Average: 391.474
Monoisotopic: 391.168462308
Chemical Formula
C26H21N3O
InChI Key
YEJCDKJIEMIWRQ-UHFFFAOYSA-N
InChI
InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
IUPAC Name
1-phenyl-3,3-bis[(pyridin-4-yl)methyl]-2,3-dihydro-1H-indol-2-one
SMILES
O=C1N(C2=CC=CC=C2C1(CC1=CC=NC=C1)CC1=CC=NC=C1)C1=CC=CC=C1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C13780
ChemSpider
3795
ChEBI
34823
ChEMBL
CHEMBL319111
Wikipedia
Linopirdine
ATC Codes
N06BX09 — Linopirdine

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
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00188 mg/mLALOGPS
logP3.49ALOGPS
logP4.41ChemAxon
logS-5.3ALOGPS
pKa (Strongest Basic)5.35ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area46.09 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity116.63 m3·mol-1ChemAxon
Polarizability41.76 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/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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0006-0029000000-42da3f807bfa9d739d26
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0fka-2394000000-3d83fcab8a361968eb7c
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-4790000000-dc2de63175e77d9642cc
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0uk9-2394000000-3aacc997a328a33b28ab

Taxonomy

Description
This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Not Available
Direct Parent
Indoles and derivatives
Alternative Parents
Pyridines and derivatives / Benzene and substituted derivatives / Tertiary carboxylic acid amides / Heteroaromatic compounds / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Indole or derivatives / Monocyclic benzene moiety / Pyridine / Benzenoid / Tertiary carboxylic acid amide / Heteroaromatic compound / Lactam / Carboxamide group / Azacycle / Carboxylic acid derivative
show 9 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
indoles (CHEBI:34823)

Drug created on June 23, 2017 14:49 / Updated on May 01, 2019 13:40