ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298517
CHEMBL298517
Compound Name (+)-EPIBATIDINE
ChEMBL Synonyms (+)-Epibatidine | (1R,2R,4S)-Epibatidine
Max Phase 0
Trade Names
Molecular Formula C11H13ClN2

Additional synonyms for CHEMBL298517 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-UTLUCORTSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL298517

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 CHEMBL298517. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NLPRAJRHRHZCQQ-UTLUCORTSA-N
PubChem SID: 11113644

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298517



ACToR 140111-52-0 152378-30-8
BindingDB 50143320
Guide to Pharmacology 5348
Nikkaji J555.525F
PubChem 3073763
PubChem: Thomson Pharma 16143709 16191888
SureChEMBL SCHEMBL316977
ZINC ZINC000000967913

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