Compound Detail
CHEMBL191867
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Basic Information
| ChEMBL ID | CHEMBL191867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSHDKMKDEJGTHJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
2.07
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 2.0 | nM | 8.7 | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human ... | 15908213 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 350.0 | nM | 6.46 | Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor... | 15908213 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 710.0 | nM | 6.15 | Inhibition of [3H]epibatidine binding to nicotinic acetylcholine receptor alpha3... | 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