Compound Detail
CHEMBL144412
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Basic Information
| ChEMBL ID | CHEMBL144412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSZBWZDUZSIQIE-TWGQIWQCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.70
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | IC50 | 6.11 | 6.11 | 783.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.36 | 5.36 | 4420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | IC50 | = | 783.0 | nM | 6.11 | In vitro displacement of [3H]methylcarbamylcholine from nicotinic acetylcholine ... | 10585207 |
| Muscarinic acetylcholine receptor | IC50 | = | 4420.0 | nM | 5.36 | In vitro displacement of [3H]oxotremorine-M from muscarinic acetylcholine recept... | 10585207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10585207 | 10.1021/jm9910627 | Neuronal acetylcholine receptor | 1 |
| 10585207 | 10.1021/jm9910627 | Muscarinic acetylcholine receptor | 1 |
| 10585207 | 10.1021/jm9910627 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine