Compound Detail
CHEMBL3600666
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Basic Information
| ChEMBL ID | CHEMBL3600666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWYLKYFZOMUTBF-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.65
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.25
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 5.09 | 5.09 | 8070.0 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | EC50 | 4.25 | 4.25 | 56234.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 8128.31 | nM | 5.09 | Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in... | 26087938 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 8070.0 | nM | 5.09 | Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in... | 26087938 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 56234.13 | nM | 4.25 | Agonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in Xe... | 26087938 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 56500.0 | nM | 4.25 | Agonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in Xe... | 26087938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26087938 | 10.1016/j.bmcl.2015.05.094 | Neuronal acetylcholine receptor subunit alpha-7 | 6 |
Data from ChEMBL 36 via Core Engine