Compound Detail
CHEMBL111526
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Basic Information
| ChEMBL ID | CHEMBL111526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OENQOTXBICIGII-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
190.3
MW (Da)
2.41
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal nicotinic acetylcholine receptor CHEMBL3350222 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal nicotinic acetylcholine receptor | IC50 | = | 11.0 | nM | 7.96 | Binding affinity at NAChRs was determined by measuring the displacement of ([3H]... | 8765504 |
| Muscarinic acetylcholine receptor | IC50 | = | 5800.0 | nM | 5.24 | Muscarinic acetylcholine receptor binding (rat cortical membranes) was determine... | 8765504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765504 | 10.1021/jm960328w | Neuronal nicotinic acetylcholine receptor | 1 |
| 8765504 | 10.1021/jm960328w | Muscarinic acetylcholine receptor | 1 |
| 8765504 | 10.1021/jm960328w | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine