Compound Detail
CHEMBL190826
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Basic Information
| ChEMBL ID | CHEMBL190826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKVSVXVHHIOCHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.84
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 6.5 | nM | 8.19 | Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human ... | 15908213 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 980.0 | nM | 6.01 | 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