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Compound Detail

CHEMBL1255785

MUSCARINE CHLORIDE
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C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O.[Cl-]

Basic Information

ChEMBL ID CHEMBL1255785
Name MUSCARINE CHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key WUFRNEJYZWHXLC-CTERPIQNSA-M
Parent Compound CHEMBL12587
Active Moiety CHEMBL12587
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

174.3
MW (Da)
0.23
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H20ClNO2
MW 209.72
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.45

Activity Summary

EC50 3 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL245
EC50 6.0 6.0 1000.0 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
EC50 5.89 5.89 1300.0 1
Muscarinic acetylcholine receptor M1
CHEMBL216
EC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

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
17417631 10.1038/nchembio873 Unchecked 1
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1

Data from ChEMBL 36 via Core Engine