McN-A-343

Ligand id: 290

Name: McN-A-343

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 38.33
Molecular weight 316.07
XLogP 2.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloride
Database Links
BindingDB Ligand 50006584
CAS Registry No. 55-45-8 (source: Scifinder)
ChEMBL Ligand CHEMBL74300
PubChem CID 5926
Search Google for chemical match using the InChIKey CXFZFEJJLNLOTA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CXFZFEJJLNLOTA
Search UniChem for chemical match using the InChIKey CXFZFEJJLNLOTA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CXFZFEJJLNLOTA
Comments
McN-A-343 is considered a bitopic ligand for muscarinic acetylcholine receptor in that it modulates allosteric and orthosteric binding sites [1].