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
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)
ChEBI CHEBI:15355
ChEMBL Ligand 127812
DrugBank Ligand DB03128
Human Metabolome Database HMDB00895
PharmGKB Drug PA448031
PubChem CID 187
RCSB PDB Ligand ACH
Search Google for chemical match using the InChIKey OIPILFWXSMYKGL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OIPILFWXSMYKGL
Search PubMed clinical trials acetylcholine chloride
Search PubMed titles acetylcholine chloride
Search PubMed titles/abstracts acetylcholine chloride
Wikipedia Acetylcholine
ZINC ZINC03079336

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