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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1163383
CHEMBL1163383
Compound Name
ChEMBL Synonyms 3-(4-Aminobenzylidene)Anabaseine
Max Phase 0
Trade Names
Molecular Formula C17H17N3

Additional synonyms for CHEMBL1163383 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(\C=C\2/CCCN=C2c3cccnc3)cc1
Standard InChI InChI=1S/C17H17N3/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14 ...
Download InChI
Standard InChI Key WKIKOLZQZBUNSZ-SDNWHVSQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1163383

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
263.3 263.1422 3.33 2 51.27 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.24 2.22 2.13 2 20 0.84

Structural Alerts

There are 3 structural alerts for CHEMBL1163383. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WKIKOLZQZBUNSZ-SDNWHVSQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1163383



BindingDB 50320526
PubChem 11587012
PubChem: Thomson Pharma 16689471
SureChEMBL SCHEMBL12363737
ZINC ZINC000035875032

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