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Compound Detail

CHEMBL503573

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CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL503573
Phase Preclinical
Structure Type MOL
InChI Key CERLNDRLDQEXDA-IAGOWNOFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.9
MW (Da)
3.02
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN2O
MW 330.86
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.66

Activity Summary

EC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
EC50 7.6 7.6 25.1 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
19208472 10.1016/j.bmcl.2009.01.073 Unchecked 1

Data from ChEMBL 36 via Core Engine