Compound Detail
CHEMBL189968
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Basic Information
| ChEMBL ID | CHEMBL189968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUQOQQYEHCYTBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.54
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 7.0 | nM | 8.15 | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human ... | 15908213 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 1700.0 | nM | 5.77 | Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor... | 15908213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Unchecked | 1 |
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine