Compound Detail
CHEMBL525968
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Basic Information
| ChEMBL ID | CHEMBL525968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAFZJTZYIZABRG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.84
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.41 | 6.41 | 394.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.29 | 6.29 | 514.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 394.0 | nM | 6.41 | Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membr... | 18644719 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 514.0 | nM | 6.29 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane | 18644719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine