Compound Detail
CHEMBL260397
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Basic Information
| ChEMBL ID | CHEMBL260397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNOKAIGVHODDW-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
6.86
ALogP
6
HBA
1
HBD
67.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.54 | 6.535 | 290.0 | 4 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 5.69 | 5.685 | 2057.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.69 | 5.69 | 2057.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 290.0 | nM | 6.54 | Inhibitory concentration against human Protein kinase B, alpha | 15664853 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 290.0 | nM | 6.54 | Inhibition of Akt | 19497644 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 295.0 | nM | 6.53 | Inhibitory concentration against Akt1 kinase | 15686884 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 295.0 | nM | 6.53 | Inhibition of Akt1 | 18479914 |
| Unchecked | IC50 | = | 2057.0 | nM | 5.69 | Inhibitory concentration against Akt2 kinase | 15686884 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 2057.0 | nM | 5.69 | Inhibition of Akt2 | 18479914 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 2090.0 | nM | 5.68 | Inhibitory concentration against human Protein kinase B, Akt2 | 15664853 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of Akt3 | 18479914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686884 | 10.1016/j.bmcl.2004.12.062 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | Unchecked | 1 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | RAC-beta serine/threonine-protein kinase | 1 |
| 15664853 | 10.1016/j.bmcl.2004.11.011 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15664853 | 10.1016/j.bmcl.2004.11.011 | RAC-beta serine/threonine-protein kinase | 1 |
| 15664853 | 10.1016/j.bmcl.2004.11.011 | RAC-gamma serine/threonine-protein kinase | 1 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-beta serine/threonine-protein kinase | 1 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-gamma 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