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Compound Detail

CHEMBL362279

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CN(C)c1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1

Basic Information

ChEMBL ID CHEMBL362279
Phase Preclinical
Structure Type MOL
InChI Key BDYNZJMRTPYITM-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
1.58
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.91
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 C16H23N3O
MW 273.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.76

Activity Summary

EC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 30000.0 nM 4.52 Agonistic activity against Nicotinic acetylcholine receptor alpha-7 - 5-hydroxyt... 15715459

Literature References

PubMed DOI Target Context # Activities
15715459 10.1021/jm049363q Unchecked 1

Data from ChEMBL 36 via Core Engine