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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6623
CHEMBL6623
Compound Name EPIBATIDINE
ChEMBL Synonyms epibatidine
Max Phase 0
Trade Names
Molecular Formula C11H13ClN2

Additional synonyms for CHEMBL6623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cn1)C2CC3CCC2N3
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-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6623

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 2.34 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 0.72

Structural Alerts

There are 5 structural alerts for CHEMBL6623. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NLPRAJRHRHZCQQ-UHFFFAOYSA-N
PubChem SID: 26751838 SID: 50104539

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6623



BindingDB 50049757
ChEBI 91678
eMolecules 1934009
Guide to Pharmacology 3976 3977
IBM Patent System 7A9606428E2B4D0F570DC66275A2ACF6
LINCS LSM-1518
Metabolights MTBLC91678
MolPort MolPort-003-983-567
Nikkaji J983.316A
PubChem 1204
PubChem: Thomson Pharma 14773265
SureChEMBL SCHEMBL316978

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