Compound Detail
CHEMBL188383
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Basic Information
| ChEMBL ID | CHEMBL188383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEKZEACGPKAUFE-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.2
MW (Da)
4.53
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 8500.0 | nM | 5.07 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7 | 16033252 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 9200.0 | nM | 5.04 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta4 | 16033252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine