Compound Detail
CHEMBL178468
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CC(C)Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)nc1O
Basic Information
| ChEMBL ID | CHEMBL178468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJPLOWNWNWVHLW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
533.7
MW (Da)
6.61
ALogP
7
HBA
2
HBD
87.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.49 | 6.49 | 325.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.49 | 6.49 | 325.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 4.66 | 4.66 | 21870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 325.0 | nM | 6.49 | Inhibitory concentration against Akt2 kinase | 15686884 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 325.0 | nM | 6.49 | Inhibitory concentration against human Protein kinase B, Akt2 | 15664853 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 21200.0 | nM | 4.67 | Inhibitory concentration against human Protein kinase B, alpha | 15664853 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 21870.0 | nM | 4.66 | Inhibitory concentration against human Protein kinase B, Akt3 | 15664853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine