Compound Detail
CHEMBL127580
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 | CHEMBL127580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHAIVYQTIJWDDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.6
MW (Da)
5.04
ALogP
4
HBA
0
HBD
3.2
PSA (Ų)
0.76
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | IC50 | 4.23 | 4.23 | 59400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | IC50 | = | 59400.0 | nM | 4.23 | Binding affinity towards nicotinic acetylcholine receptor using [3H]-cytisine as... | 14552793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552793 | 10.1016/s0960-894x(03)00728-5 | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine