Compound Detail
CHEMBL186070
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Basic Information
| ChEMBL ID | CHEMBL186070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUMYSIXHQPYXGX-RTBKNWGFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
208.7
MW (Da)
2.20
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.05 | nM | 10.3 | Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-be... | - |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 6.3 | nM | 8.2 | Inhibition of [3H]-BTX binding to Nicotinic acetylcholine receptor alpha-7 of ra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.bmcl.2004.08.026 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| - | 10.1016/j.bmcl.2004.08.026 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine