Compound Detail
CHEMBL335204
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Basic Information
| ChEMBL ID | CHEMBL335204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYKWZRJIQJVYGD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
235.8
MW (Da)
3.68
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-9 CHEMBL2585 | Kd | 7.87 | 7.87 | 13.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-9 | Kd | = | 13.6 | nM | 7.87 | The compound was tested for the inhibition of binding of [3H]epibatidine to cent... | 9784094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784094 | 10.1021/jm980233p | Neuronal acetylcholine receptor subunit alpha-9 | 1 |
Data from ChEMBL 36 via Core Engine