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Compound Detail

CHEMBL1924036

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CC(C(=O)OC1CC[N+](C)(C)CC1)(c1cccs1)N1CCCCC1

Basic Information

ChEMBL ID CHEMBL1924036
Phase Preclinical
Structure Type MOL
InChI Key JHSINHUWGNKNKA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
3.23
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H31N2O2S+
MW 351.54
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL245
IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22047691 10.1016/j.bmcl.2011.10.002 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine