Ligand Id: 294
Ligand name acetylcholine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.3
Molecular weight 146.12
XLogP -0.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
2-acetyloxyethyl-trimethylazanium
International Nonproprietary Names
INN number INN
438 acetylcholine chloride
Synonyms
acetylcholinum
ACh
azetylcholin
choline acetate
O-acetylcholine
pragmoline
Database Links
CAS Registry No. 51-84-3 (source: DrugBank), 66-23-9 (source: NCI)
ChEBI CHEBI:15355
ChEMBL Ligand 197687, 295974, 127812
DrugBank Ligand DB03128
Human Metabolome Database HMDB00895
PharmGKB Drug PA448031
PubChem CID 187
RCSB PDB Ligand ACH
Search on ChemSpider OIPILFWXSMYKGL-UHFFFAOYSA-N
Wikipedia Acetylcholine
ZINC ZINC03079336
iPHACE GCEZ0A6J

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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