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Compound Detail

CHEMBL362189

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CSc1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1

Basic Information

ChEMBL ID CHEMBL362189
Phase Preclinical
Structure Type MOL
InChI Key UEGNOTKKWUNLTM-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
2.23
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.86
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 C15H20N2OS
MW 276.40
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.83

Activity Summary

EC50 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.79 6.79 164.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 164.0 nM 6.79 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