Compound Detail
CHEMBL55661
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Basic Information
| ChEMBL ID | CHEMBL55661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUOARABQCFZLNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.7
MW (Da)
1.93
ALogP
3
HBA
2
HBD
50.9
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 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 11.0 | 11.0 | 0.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.86 | 7.86 | 13.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.01 | nM | 11.0 | Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4... | 15050621 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 13.9 | nM | 7.86 | Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-... | 15050621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Mus musculus | 4 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine