Compound Detail
CHEMBL475400
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Basic Information
| ChEMBL ID | CHEMBL475400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQYMSDMYIOKZDF-BMIGLBTASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
1.08
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.36 | 7.36 | 44.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of AKT | 19309081 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of recombinant AKT1 (unknown origin) using serine/threonine 06 peptid... | 24321345 |
| NON-PROTEIN TARGET | IC50 | = | 800.0 | nM | 6.1 | Cytotoxicity against human MDA468 cells expressing AKT | 19309081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19309081 | 10.1021/jm900075g | NON-PROTEIN TARGET | 1 |
| 19309081 | 10.1021/jm900075g | RAC-alpha serine/threonine-protein kinase | 1 |
| 24321345 | 10.1016/j.bmcl.2013.11.020 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine