Compound Detail
CHEMBL419932
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 | CHEMBL419932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHPRWVPOPFGLJG-VUDBWIFFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.8
MW (Da)
3.03
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Ki 1 meas. best 10.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 10.12 | 10.12 | 0.1 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.28 | 5.28 | 5290.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 0.076 | nM | 10.12 | Ability to displace radioligand [3H](-)-cytisine from Nicotinic acetylcholine re... | 12392742 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 5290.0 | nM | 5.28 | Inhibition of Akt1 using 10 uM ATP | 16403626 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 5290.0 | nM | 5.28 | Inhibition of Akt | 19497644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392742 | 10.1016/s0960-894x(02)00740-0 | Neuronal acetylcholine receptor | 1 |
| 16403626 | 10.1016/j.bmcl.2005.12.017 | RAC-alpha serine/threonine-protein kinase | 1 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine