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Compound Detail

CHEMBL3787485

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Cc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12

Basic Information

ChEMBL ID CHEMBL3787485
Phase Preclinical
Structure Type MOL
InChI Key KEXLKHXDJQQDPL-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.74
ALogP
3
HBA
1
HBD
36.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O
MW 359.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.62

Activity Summary

EC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 5.33 5.33 4640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26994846 10.1016/j.ejmech.2016.03.016 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine