Compound Detail
CHEMBL272292
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O=C(O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL272292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIIKNCICYINXBJ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
6.14
ALogP
6
HBA
2
HBD
104.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.62 | 6.62 | 240.0 | 3 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.55 | 6.55 | 281.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 240.0 | nM | 6.62 | Inhibitory concentration against human Protein kinase B, alpha | 15664853 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Akt1 | 18054229 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Akt | 19497644 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 281.0 | nM | 6.55 | Inhibitory concentration against human Protein kinase B, Akt2 | 15664853 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 281.0 | nM | 6.55 | Inhibition of Akt2 | 18054229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18054229 | 10.1016/j.bmcl.2007.11.015 | Unchecked | 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 |
| 18054229 | 10.1016/j.bmcl.2007.11.015 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18054229 | 10.1016/j.bmcl.2007.11.015 | RAC-beta serine/threonine-protein kinase | 1 |
| 18054229 | 10.1016/j.bmcl.2007.11.015 | RAC-gamma serine/threonine-protein kinase | 1 |
| 18054229 | 10.1016/j.bmcl.2007.11.015 | Serine/threonine-protein kinase Sgk1 | 1 |
| 18054229 | 10.1016/j.bmcl.2007.11.015 | No relevant target | 1 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine