Compound Detail
CHEMBL178397
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Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL178397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQEYGNWUFJMZPZ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
4.89
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.12
Ki 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.12 | 6.12 | 760.0 | 3 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Ki | 6.12 | 6.12 | 760.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 760.0 | nM | 6.12 | Inhibitory concentration against Akt1 kinase | 15686884 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 760.0 | nM | 6.12 | Inhibitory concentration against human Protein kinase B, alpha | 15664853 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 760.0 | nM | 6.12 | Inhibition of Akt | 19497644 |
| RAC-alpha serine/threonine-protein kinase | Ki | = | 760.0 | nM | 6.12 | Inhibition of Akt1 | 15975507 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 24000.0 | nM | 4.62 | Inhibitory concentration against human Protein kinase B, Akt2 | 15664853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15975507 | 10.1016/j.chembiol.2005.04.011 | Unchecked | 2 |
| 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 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15975507 | 10.1016/j.chembiol.2005.04.011 | RAC-alpha serine/threonine-protein kinase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine