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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL134713
CHEMBL134713
Compound Name
ChEMBL Synonyms 3-(2,4-Dimethoxybenzylidene)Anabaseine
Max Phase 0
Trade Names
Molecular Formula C19H20N2O2

Additional synonyms for CHEMBL134713 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=C\2/CCCN=C2c3cccnc3)c(OC)c1
Standard InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4- ...
Download InChI
Standard InChI Key RPYWXZCFYPVCNQ-RVDMUPIBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL134713

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
308.4 308.1525 3.77 4 43.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.84 3.76 3.73 2 23 0.86

Structural Alerts

There are no structural alerts for CHEMBL134713

Compound Cross References

ChemSpider ChemSpider:RPYWXZCFYPVCNQ-RVDMUPIBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL134713



BindingDB 50061564
ChemicalBook CB01372542
DrugBank DB05708
eMolecules 27321366
FDA SRS 8S399XDN2K
Mcule MCULE-6779912130
MolPort MolPort-004-975-791
Nikkaji J634.185C J674.426E
PDBe ZY7
PubChem 5310985
PubChem: Thomson Pharma 14898738
SureChEMBL SCHEMBL316745
ZINC ZINC000000000860

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