Compound Detail
CHEMBL3318012
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Basic Information
| ChEMBL ID | CHEMBL3318012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFFQILYITMDIRE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.20
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
Ki 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | EC50 | 5.62 | 5.62 | 2374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes ... | 25019477 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 2374.0 | nM | 5.62 | Agonist activity at rat nAChR alpha7 expressed in GH4C1 cells by fluorescent cal... | 25019477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25019477 | 10.1016/j.ejmech.2014.07.029 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 25019477 | 10.1016/j.ejmech.2014.07.029 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 25019477 | 10.1016/j.ejmech.2014.07.029 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine