Compound Detail
CHEMBL595786
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 | CHEMBL595786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHFXJWRRQDJXOA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.60
ALogP
7
HBA
2
HBD
118.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 4.6 | 4.6 | 25000.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.16 | 4.16 | 69900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of pleckstrin homology domain of AKT by surface plasmon resonance spe... | 19734051 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 25000.0 | nM | 4.6 | Cellular Assay: Inhibition of AKT was measured by Western blotting using specifi... | - |
| MDA-MB-231 | IC50 | = | 69900.0 | nM | 4.16 | Cytotoxicity in human MDA-MB-231 cells assessed as reduction in cell viability i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734051 | 10.1016/j.bmc.2009.08.022 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine