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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL589390
CHEMBL589390
Compound Name LATREPIRDINE
ChEMBL Synonyms LATREPIRDINE | LATREPIRDINE DIHYDROCHLORIDE
Max Phase 3
Trade Names
Molecular Formula C21H25N3

Additional synonyms for CHEMBL589390 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2c(C1)c3cc(C)ccc3n2CCc4ccc(C)nc4
Standard InChI InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(1 ...
Download InChI
Standard InChI Key JNODQFNWMXFMEV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL589390

Molecule Features

CHEMBL589390 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Huntington DiseaseD006816Orphanet:399Huntington disease3ClinicalTrials
Liver FailureD0170931ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov LATREPIRDINE
The Cochrane Collaboration LATREPIRDINE

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 CHEMBL589390. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.953
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 0.640

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 1.000
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 0.835

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
319.5 319.2048 3.88 3 21.06 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.05 3.49 1.82 3 24 0.73

Structural Alerts

There are no structural alerts for CHEMBL589390

Compound Cross References

ChemSpider ChemSpider:JNODQFNWMXFMEV-UHFFFAOYSA-N
PubChem SID: 104223880 SID: 85146210

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL589390



ACToR 12687-54-6
BindingDB 50305261
ChEBI 92976
DrugBank DB11725
eMolecules 30497494
EPA CompTox Dashboard DTXSID20189705
FDA SRS OD9237K1Z6
Human Metabolome Database HMDB0240240
IBM Patent System 3DAE5F74FF46427DF3EF080FC5A41ED9
LINCS LSM-3241
MolPort MolPort-009-019-583
Nikkaji J14.525D
PubChem 197033
PubChem: Thomson Pharma 15420769
SureChEMBL SCHEMBL292354
ZINC ZINC000008144259

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