epibatidine

Ligand id: 5348

Name: epibatidine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 24.92
Molecular weight 208.08
XLogP 2.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1S,2S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
Synonyms
(+)-epibatidine
CMI 488
Database Links
CAS Registry No. 140111-52-0
ChEMBL Ligand CHEMBL298517
DrugBank Ligand DB07720
PubChem CID 3073763
Search Google for chemical match using the InChIKey NLPRAJRHRHZCQQ-UTLUCORTSA-N
Search Google for chemicals with the same backbone NLPRAJRHRHZCQQ
Wikipedia Epibatidine
Comments
Epibatidine is a nAChR agonist isolated from the skin of the frog Epipedobates tricolor. This compound is extremely toxic, so less harmful derivatives have been developed.