Compound Detail
CHEMBL252456
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Basic Information
| ChEMBL ID | CHEMBL252456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQOQPLJMWKFALQ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
6.03
ALogP
7
HBA
2
HBD
93.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.82 | 7.5833 | 15.0 | 3 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 7.05 | 6.8367 | 90.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Akt1 | 18249537 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Akt1 phosphorylation by HTRF assay | 18539456 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 78.0 | nM | 7.11 | Inhibition of Akt1 phosphorylation in human by C33a cells by IPKA assay | 18539456 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Akt2 | 18249537 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Akt2 phosphorylation by HTRF assay | 18539456 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 388.0 | nM | 6.41 | Inhibition of Akt2 phosphorylation in human by C33a cells by IPKA assay | 18539456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18539456 | 10.1016/j.bmcl.2008.05.085 | RAC-beta serine/threonine-protein kinase | 2 |
| 18539456 | 10.1016/j.bmcl.2008.05.085 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18249537 | 10.1016/j.bmcl.2008.01.054 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18249537 | 10.1016/j.bmcl.2008.01.054 | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine