Compound Detail
CHEMBL439340
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Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL439340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMSLHIHVUFAAJQ-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.0
MW (Da)
5.65
ALogP
5
HBA
3
HBD
107.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.84 | 5.84 | 1450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of Akt1 at 10 uM ATP | 16413780 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of Akt | 19497644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16413780 | 10.1016/j.bmcl.2005.12.065 | RAC-alpha serine/threonine-protein kinase | 1 |
| 19497644 | 10.1016/j.ejmech.2009.04.050 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine