bradanicline

Ligand id: 3969

Name: bradanicline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 58.37
Molecular weight 361.18
XLogP 3.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
International Nonproprietary Names
INN number INN
9893 bradanicline
Synonyms
compound 7a [PMID 23126648] [3] | TC-5619 | TC5619
Database Links
CAS Registry No. 639489-84-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1258006
GtoPdb PubChem SID 178100795
PubChem CID 25147644
Search Google for chemical match using the InChIKey OXKRFEWMSWPKKV-GHTZIAJQSA-N
Search Google for chemicals with the same backbone OXKRFEWMSWPKKV
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Search UniChem for chemical match using the InChIKey OXKRFEWMSWPKKV-GHTZIAJQSA-N
Search UniChem for chemicals with the same backbone OXKRFEWMSWPKKV
Wikipedia Bradanicline
Comments
Bradanicline is an investigational agonist of neuronal α7 subunit-containing nicotinic acetylcholine receptors [3].