Linopirdine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Linopirdine
- DrugBank Accession Number
- DB13806
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 391.474
Monoisotopic: 391.168462308 - Chemical Formula
- C26H21N3O
- Synonyms
- Linopirdine
- External IDs
- DUP 996
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
- ATC Codes
- N06BX09 — Linopirdine
- Drug Categories
- Cardiovascular Agents
- Central Nervous System Agents
- Compounds used in a research, industrial, or household setting
- Heterocyclic Compounds, Fused-Ring
- Membrane Transport Modulators
- Nervous System
- Neuroprotective Agents
- Potassium Channel Blockers
- Protective Agents
- Psychoanaleptics
- Psychostimulants, Agents Used for ADHD and Nootropics
- Chemical TaxonomyProvided by Classyfire
- 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
- Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Indole or derivatives / Lactam show 9 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- indoles (CHEBI:34823)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- I5TB3NZ94T
- CAS number
- 105431-72-9
- 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
References
- General References
- Not Available
- External Links
- KEGG Compound
- C13780
- ChemSpider
- 3795
- ChEBI
- 34823
- ChEMBL
- CHEMBL319111
- ZINC
- ZINC000000537908
- PDBe Ligand
- FCC
- Wikipedia
- Linopirdine
- PDB Entries
- 7byn
Clinical Trials
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 0.00188 mg/mL ALOGPS logP 3.49 ALOGPS logP 4.41 Chemaxon logS -5.3 ALOGPS pKa (Strongest Basic) 5.35 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 46.09 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 116.63 m3·mol-1 Chemaxon Polarizability 41.76 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 207.3075128 predictedDarkChem Lite v0.1.0 [M-H]- 182.8611 predictedDeepCCS 1.0 (2019) [M+H]+ 207.2316128 predictedDarkChem Lite v0.1.0 [M+H]+ 185.2191 predictedDeepCCS 1.0 (2019) [M+Na]+ 207.5031128 predictedDarkChem Lite v0.1.0 [M+Na]+ 191.79526 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54