Compound Detail
CHEMBL259967
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
c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL259967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPCKGZDJKQBSHO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
6.52
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.13 | 7.905 | 7.4 | 2 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.68 | 6.125 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 7.4 | nM | 8.13 | Inhibition of Akt1 | 18479914 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Akt1 by cell-based assay | 18479914 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Akt2 | 18479914 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 2679.0 | nM | 5.57 | Inhibition of Akt2 by cell-based assay | 18479914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479914 | 10.1016/j.bmcl.2008.04.074 | Unchecked | 3 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-beta serine/threonine-protein kinase | 2 |
Data from ChEMBL 36 via Core Engine