Compound Detail
CHEMBL469781
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Basic Information
| ChEMBL ID | CHEMBL469781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBCQEESWZIZBCS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.03
ALogP
4
HBA
3
HBD
83.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of AKT1 | 19285393 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of AKT-mediated GSK3-beta phosphorylation in human BT474 cells by mec... | 19285393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19285393 | 10.1016/j.bmcl.2009.02.094 | RAC-alpha serine/threonine-protein kinase | 1 |
| 19285393 | 10.1016/j.bmcl.2009.02.094 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine