e-Drug3D

366

ACETYLCHOLINE

INN
ACETYLCHOLINE

cas 51-84-3

CLASS

SENSORY
ACETYLCHOLINESTERASE INHIBITOR
CHOLINERGIC AGENTS
VASODILATOR AGENTS
PARASYMPATHOMIMETIC
ACETYLCHOLINE RECEPTOR: MUSCARINIC ACHRS AND NICOTINIC ACHRS
AQUEOUS SOLUTIONS OF ACETYLCHOLINE CHLORIDE ARE UNSTABLE

ROUTE (list)

OPHTHALMIC

ATC code

S01EB09

PK parameters

Target

TARGET MUSCARINIC ACHRS
NICOTINIC ACHRS
ACETYLCHOLINESTERASE

PDB
2XZ5 (MMTS-MODIFIED Y53C MUTANT OF APLYSIA ACHBP IN COMPLEX WITH ACETYLCHOLINE)

Ligand code = ACH (link to the list of PDB complexes)

Download experimental 3D coordinates of ACH with added hydrogens

DrugCentral

Muscarinic acetylcholine receptor M3 UNIPROT P20309 CHRM3

Download SDF file

2-acetyloxyethyl-trimethylazanium

Formula:
C7H16NO2

Calculated chemical properties:

MW 146.21
NB_atoms 10
XLogP 0.26
PSA 23.74
NB_HD 0
NB_HA 2
fsp3 0.86
Lipinski(0=no;1=yes) 1

FDA
NDA 016211 (pdf not found) INN (ACETYLCHOLINE CHLORIDE) MIOCHOL (NOVARTIS) APPROVAL= AP YEAR= 1973 NEWMOLECULARENTITY DISCONTINUED
NDA 020213 (label) INN (ACETYLCHOLINE CHLORIDE) MIOCHOL-E (BAUSCH AND LOMB) APPROVAL= AP YEAR= 1993