Compound Detail
CHEMBL378589
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N[C@H](COc1cncc(-c2ccc(NC(=O)Nc3ccccc3)nc2)c1)Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL378589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDZQOAWTKYWMCQ-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
5.22
ALogP
5
HBA
4
HBD
118.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1120.0 | nM | 5.95 | Inhibition of Akt1 at 10 uM ATP | 16413780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16413780 | 10.1016/j.bmcl.2005.12.065 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine