Compound Detail
CHEMBL126527
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 | CHEMBL126527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDVMDIRUSPYQNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
183.3
MW (Da)
0.46
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | IC50 | = | 87000.0 | nM | 4.06 | Binding affinity towards nicotinic acetylcholine receptor using [125I]alpha-bung... | 14552793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552793 | 10.1016/s0960-894x(03)00728-5 | Neuronal acetylcholine receptor | 2 |
Data from ChEMBL 36 via Core Engine