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Compound Detail

CHEMBL1184

ACETYLCHOLINE CHLORIDE
💊 Approved Drug
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💊 Approved Drug
CC(=O)OCC[N+](C)(C)C.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184
Name ACETYLCHOLINE CHLORIDE
Phase Approved
Structure Type MOL
InChI Key JUGOREOARAHOCO-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL667
Active Moiety CHEMBL667

Known Names

Acetylcholine chloride Acetylcholine chloride for injection Chlorure d'acetylcholine Choline acetate (ester) chloride Cloruro de acetilcolina Miochol Miochol-e Miphtel NSC-755845
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
9
Known Names
2
Indications
1
Mechanisms

Molecular Properties

146.2
MW (Da)
0.26
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1973
Availability Prescription
Chirality Achiral

Routes of Administration

Topical

Flags

Natural Product

Extended Properties

Molecular Formula C7H16ClNO2
MW 181.66
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.19

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Muscarinic acetylcholine receptor M3 agonist AGONIST Muscarinic acetylcholine receptor M3 ✓ ✓

Indications

Cataract Miosis

Activity Summary

EC50 3 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL245
 EC50 6.66 6.66 220.0 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 EC50 6.11 6.11 770.0 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 EC50 6.1 6.1 790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M3 EC50 = 220.0 nM 6.66 Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FR... 20716489
Muscarinic acetylcholine receptor M1 EC50 = 770.0 nM 6.11 Activation of M1-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FR... 20716489
Muscarinic acetylcholine receptor M5 EC50 = 790.0 nM 6.1 Activation of M5-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FR... 20716489

Literature References

PubMed DOI Target Context # Activities
20716489 10.1016/j.bmc.2010.07.060 Muscarinic acetylcholine receptor M1 3
20716489 10.1016/j.bmc.2010.07.060 Muscarinic acetylcholine receptor M3 3
20716489 10.1016/j.bmc.2010.07.060 Muscarinic acetylcholine receptor M5 3
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
9357523 10.1021/jm9701886 Plasmodium falciparum 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine