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Compound Detail

CHEMBL560649

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C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL560649
Phase Preclinical
Structure Type MOL
InChI Key ALRGBJGGAUWMJT-UHFFFAOYSA-N

Known Names

AB-39587
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

298.4
MW (Da)
3.07
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
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 C19H24NO2+
MW 298.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.01

Activity Summary

Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.1 7.1 79.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 79.43 nM 7.1 Inhibition of [3H]NMS binding to muscarinic receptor in mouse N4TG1 neuroblastom... 19409797

Literature References

PubMed DOI Target Context # Activities
19409797 10.1016/j.bmc.2009.04.001 Unchecked 1

Data from ChEMBL 36 via Core Engine