Compound Detail
CHEMBL3600668
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Basic Information
| ChEMBL ID | CHEMBL3600668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVFYXIBJIOQQEF-SLKKIRRESA-N |
| Parent Compound | CHEMBL3601978 |
| Active Moiety | CHEMBL3601978 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.8
MW (Da)
2.36
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 4.41 | 4.41 | 38904.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 38904.51 | nM | 4.41 | Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in... | 26087938 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 39300.0 | nM | 4.41 | Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in... | 26087938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26087938 | 10.1016/j.bmcl.2015.05.094 | Neuronal acetylcholine receptor subunit alpha-7 | 5 |
Data from ChEMBL 36 via Core Engine