Compound Detail
CHEMBL243530
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Basic Information
| ChEMBL ID | CHEMBL243530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YADBMMVIAFANRK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.6
MW (Da)
1.23
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.77 | 7.77 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 16.98 | nM | 7.77 | Displacement of [3H]cytisine from alpha-4-beta-2 in rat cerebral cortical membra... | 17585748 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]cytisine from alpha-4-beta-2 in rat cerebral cortical membra... | 17585748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17585748 | 10.1021/jm070018l | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
Data from ChEMBL 36 via Core Engine