Compound Detail
CHEMBL488428
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL488428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WODXCEOADJHAKH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
5.11
ALogP
6
HBA
3
HBD
123.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.0 | 8.105 | 1.0 | 2 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 8.1 | 7.325 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Akt1 | 18550373 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Akt2 | 18550373 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 62.0 | nM | 7.21 | Inhibition of Akt1 by cellular assay | 18550373 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 284.0 | nM | 6.55 | Inhibition of Akt2 by cellular assay | 18550373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18550373 | 10.1016/j.bmcl.2008.05.084 | RAC-beta serine/threonine-protein kinase | 2 |
| 18550373 | 10.1016/j.bmcl.2008.05.084 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18550373 | 10.1016/j.bmcl.2008.05.084 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine