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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298826
CHEMBL298826
Compound Name (-)-EPIBATIDINE
ChEMBL Synonyms (-)-Epibatidine
Max Phase 0
Trade Names
Molecular Formula C11H13ClN2

Additional synonyms for CHEMBL298826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cn1)[C@H]2C[C@@H]3CC[C@H]2N3
Standard InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8 ...
Download InChI
Standard InChI Key NLPRAJRHRHZCQQ-IVZWLZJFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL298826

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
208.7 208.0767 1.84 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
- 10.07 1.98 -.5 1 14 0.71

Structural Alerts

There are 5 structural alerts for CHEMBL298826. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NLPRAJRHRHZCQQ-IVZWLZJFSA-N
Wikipedia Epibatidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298826



BindingDB 50143314
ChEBI 4803
DrugBank DB07720
FDA SRS M6K314F1XX
IBM Patent System D9D6217FD174D96E674C874F61A102C0
Metabolights MTBLC4803
Nikkaji J555.524H
PDBe EPJ
PubChem 854023
PubChem: Drugs of the Future 12014827
PubChem: Thomson Pharma 16107040
SureChEMBL SCHEMBL2500147
ZINC ZINC000000402872

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