Compound Detail
CHEMBL328429
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL328429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOMFWHZONIFICL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
192.3
MW (Da)
1.56
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.67 | 6.67 | 212.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 212.0 | nM | 6.67 | Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat ... | 14698195 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 240.0 | nM | 6.62 | Nicotinic acetylcholine receptor binding activity was determined by ability to d... | 10509928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10509928 | 10.1016/s0960-894x(99)00462-x | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 14698195 | 10.1016/j.bmcl.2003.10.033 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine