Compound Detail
CHEMBL56677
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Basic Information
| ChEMBL ID | CHEMBL56677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKOQIVDOPMBHHG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
1.76
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.58 | 7.58 | 26.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 26.4 | nM | 7.58 | Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor al... | 11405659 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 26.4 | nM | 7.58 | Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-be... | 15050621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 11405659 | 10.1021/jm0100178 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 11405659 | 10.1021/jm0100178 | Unchecked | 1 |
| 11405659 | 10.1021/jm0100178 | Mus musculus | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Mus musculus | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha2/beta2 | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha2/beta4 | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 15050621 | 10.1016/j.bmcl.2004.02.007 | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
Data from ChEMBL 36 via Core Engine