Compound Detail
CHEMBL3763220
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Basic Information
| ChEMBL ID | CHEMBL3763220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOORUXYYYLIDDN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3765923 |
| Active Moiety | CHEMBL3765923 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.52
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 96.0 | nM | 7.02 | Displacement of [3H]methyllycaconitine from Sprague-Dawley rat brain alpha7* nAC... | 26840365 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 1410.0 | nM | 5.85 | Agonist activity at human alpha7 receptor expressed in mouse Neuro2a cells asses... | 26840365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26840365 | 10.1016/j.ejmech.2016.01.025 | Unchecked | 7 |
| 26840365 | 10.1016/j.ejmech.2016.01.025 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
Data from ChEMBL 36 via Core Engine