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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL319111
CHEMBL319111
Compound Name LINOPIRDINE
ChEMBL Synonyms LINOPIRDINE | DUP 996
Max Phase 0
Trade Names
Molecular Formula C26H21N3O

Additional synonyms for CHEMBL319111 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
Standard InChI InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-1 ...
Download InChI
Standard InChI Key YEJCDKJIEMIWRQ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL319111

Molecule Features

CHEMBL319111 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov LINOPIRDINE
The Cochrane Collaboration LINOPIRDINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL319111. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL5697 Egl nine homolog 1 Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5697 Egl nine homolog 1 Homo sapiens 0.993

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
391.5 391.1685 4.16 5 46.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.01 1.95 1.94 4 30 0.51

Structural Alerts

There are no structural alerts for CHEMBL319111

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06B - PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
N06BX - Other psychostimulants and nootropics
N06BX09 - linopirdine

ChemSpider ChemSpider:YEJCDKJIEMIWRQ-UHFFFAOYSA-N
PubChem SID: 11111362 SID: 11114259 SID: 124880516 SID: 144203728 SID: 170466342 SID: 174006298 SID: 46500471 SID: 50104972 SID: 85231103 SID: 90341523
Wikipedia Linopirdine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL319111



ACToR 105431-72-9
ChEBI 34823
DrugCentral 4588
eMolecules 545228
EPA CompTox Dashboard DTXSID6045163
FDA SRS I5TB3NZ94T
Guide to Pharmacology 2599
IBM Patent System 7E318374F94E33023CCD23BBAF6F9905
KEGG Ligand C13780
LINCS LSM-3317
Nikkaji J399.573I
PubChem 3932
PubChem: Drugs of the Future 12014138
PubChem: Thomson Pharma 14927733
SureChEMBL SCHEMBL122699
ZINC ZINC000000537908

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YEJCDKJIEMIWRQ-UHFFFAOYSA-N spacer
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