Compound Detail
CHEMBL2151569
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Basic Information
| ChEMBL ID | CHEMBL2151569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLRNTKYYDKUMQG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.62
ALogP
4
HBA
1
HBD
48.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
Ki 1 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 0.24 | nM | 9.62 | Binding affinity to alpha7 nAChR | 21919481 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 320.0 | nM | 6.5 | Agonist activity at alpha7 nAChR | 21919481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine