Compound Detail
CHEMBL252056
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Basic Information
| ChEMBL ID | CHEMBL252056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKGZBXPPWINVIJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.87
ALogP
7
HBA
1
HBD
63.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 5.86 | 5.86 | 1381.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 198.0 | nM | 6.7 | Inhibition of Akt1 | 18249537 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 1381.0 | nM | 5.86 | Inhibition of Akt2 | 18249537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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