Compound Detail
CHEMBL362455
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Basic Information
| ChEMBL ID | CHEMBL362455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBJJSCYIXJYEAW-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
5.16
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.47 | 5.47 | 3400.0 | 4 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 4.64 | 4.64 | 23000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3400.0 | nM | 5.47 | Inhibitory concentration against human Protein kinase B, alpha | 15664853 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human recombinant Akt1 | 18296048 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of Akt | 19497644 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of Akt1 (unknown origin) | 25180768 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 23000.0 | nM | 4.64 | Inhibitory concentration against human Protein kinase B, Akt2 | 15664853 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of human recombinant Akt2 | 18296048 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of Akt2 (unknown origin) | 25180768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25180768 | 10.1021/jm5011786 | RAC-alpha serine/threonine-protein kinase | 2 |
| 25180768 | 10.1021/jm5011786 | RAC-beta serine/threonine-protein kinase | 2 |
| 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 |
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-beta serine/threonine-protein kinase | 1 |
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-gamma serine/threonine-protein kinase | 1 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
| 25180768 | 10.1021/jm5011786 | RAC-gamma serine/threonine-protein kinase | 1 |
| 25180768 | 10.1021/jm5011786 | Unchecked | 1 |
| 25180768 | 10.1021/jm5011786 | Protein kinase C (PKC) | 1 |
| 25180768 | 10.1021/jm5011786 | Serine/threonine-protein kinase Sgk1 | 1 |
Data from ChEMBL 36 via Core Engine