Compound Detail
CHEMBL439821
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Basic Information
| ChEMBL ID | CHEMBL439821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTGOPKZJZZGZOX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
167.2
MW (Da)
1.62
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 7.17 | 7.17 | 67.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 67.3 | nM | 7.17 | Binding affinity for Nicotinic acetylcholine receptor site in rat cortex was det... | - |
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