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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56817
CHEMBL56817
Compound Name DESCHLOROEPIBATIDINE
ChEMBL Synonyms deschloroepibatidine
Max Phase 0
Trade Names
Molecular Formula C11H14N2

Additional synonyms for CHEMBL56817 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC2NC1CC2c3cccnc3
Standard InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2 ...
Download InChI
Standard InChI Key GYACOUGJSVTBRX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56817

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
174.3 174.1157 1.69 1 24.92 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.3 1.14 -1.51 1 13 0.7

Structural Alerts

There are no structural alerts for CHEMBL56817

Compound Cross References

ChemSpider ChemSpider:GYACOUGJSVTBRX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56817



BindingDB 50100717
IBM Patent System 85E588E0D14F9D7D93D865245FFFFBB7
Nikkaji J1.668.289F
PubChem 10154265
PubChem: Thomson Pharma 15147212
SureChEMBL SCHEMBL8047370

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