Compound Detail
CHEMBL152050
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Basic Information
| ChEMBL ID | CHEMBL152050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEIRTMMKWMSOLP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
181.3
MW (Da)
2.01
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 6.83 | 6.83 | 148.7 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.36 | 5.36 | 4345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 148.7 | nM | 6.83 | Binding affinity for Nicotinic acetylcholine receptor site in rat cortex was det... | - |
| Muscarinic acetylcholine receptor | Ki | = | 4345.0 | nM | 5.36 | Binding affinity for muscarinic receptor site in rat hippocampus was determined ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80157-8 | Neuronal acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(01)80157-8 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(01)80157-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine