acetylcholine [524]



acetylcholine


SMILES CC(=O)OCC[N+](C)(C)C
InChIKey OIPILFWXSMYKGL-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Log P 0.256
Molecular weight (Da) 146.1
Stereochemistry info unspecified

Database connections

Structure pdb 9EJZ 7TRS 7T90 7T8X 7T94 7T96
Model (Boltz2) M1 M3 M4 M2 M5
Ligand site mutations M1 M2 M3 M4
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

acetylcholine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 5
Phase III 0
Phase IV 5

Database connections

Structure pdb 9EJZ 7TRS 7T90 7T8X 7T94 7T96
Model (Boltz2) M1 M3 M4 M2 M5
Ligand site mutations M1 M2 M3 M4

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score