Compound Detail
CHEMBL214195
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Basic Information
| ChEMBL ID | CHEMBL214195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMZFSPQBWIIQLA-ZDUSSCGKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.65
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.43
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.43 | 6.43 | 374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]MLA from alpha-7 nAChR in Sprague-Dawley rat brain homogenat... | 16821801 |
| Unchecked | EC50 | = | 374.0 | nM | 6.43 | Activity at alpha7-5HT3 chimera expressed in SHEP1 cells by FLIPR assay | 16821801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821801 | 10.1021/jm0602413 | Liver microsomes | 1 |
| 16821801 | 10.1021/jm0602413 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16821801 | 10.1021/jm0602413 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine