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Compound Detail

CHEMBL32688

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CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1

Basic Information

ChEMBL ID CHEMBL32688
Phase Preclinical
Structure Type MOL
InChI Key LJSJZHNTOIAAGO-YBFXNURJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
4.24
ALogP
2
HBA
0
HBD
25.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17Cl2N2O+
MW 324.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.96

Activity Summary

EC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL4781
EC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8182702 10.1021/jm00036a008 Muscarinic acetylcholine receptor M2 2
8182702 10.1021/jm00036a008 No relevant target 1

Data from ChEMBL 36 via Core Engine