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Compound Detail

CHEMBL32609

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COc1ccc(CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1

Basic Information

ChEMBL ID CHEMBL32609
Phase Preclinical
Structure Type MOL
InChI Key YQDDNXJWJDQWEC-WGOQTCKBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
5.47
ALogP
3
HBA
0
HBD
34.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23Cl2N2O2+
MW 430.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.74

Activity Summary

EC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL4781
EC50 5.22 5.22 6000.0 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