xanomeline

Ligand id: 57

Name: xanomeline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 66.49
Molecular weight 281.16
XLogP 2.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2H-pyridine
International Nonproprietary Names
INN number INN
7125 xanomeline
Synonyms
LY 246708
Database Links
BindingDB Ligand 50003359
CAS Registry No. 131986-45-3 (source: ChEBI)
ChEBI CHEBI:10056
ChEMBL Ligand CHEMBL21536
PubChem CID 60809
Search Google for chemical match using the InChIKey JOLJIIDDOBNFHW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JOLJIIDDOBNFHW
Search PubMed clinical trials xanomeline
Search PubMed titles xanomeline
Search PubMed titles/abstracts xanomeline
Search UniChem for chemical match using the InChIKey JOLJIIDDOBNFHW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JOLJIIDDOBNFHW
Wikipedia Xanomeline