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Compound Detail

CHEMBL522965

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COc1cccc([C@@H]2C[C@H](CN3CCCCC3)C(=O)N2C)c1

Basic Information

ChEMBL ID CHEMBL522965
Phase Preclinical
Structure Type MOL
InChI Key CSGURKIYEFTRHG-WBVHZDCISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.70
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.86
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 C18H26N2O2
MW 302.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.34

Activity Summary

EC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 5.9 5.9 1258.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19208472 10.1016/j.bmcl.2009.01.073 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine