Compound Detail
CHEMBL5401780
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Basic Information
| ChEMBL ID | CHEMBL5401780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYWUDVZKPXUAKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.80
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase AKT CHEMBL2111353 | IC50 | 5.59 | 5.59 | 2544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase AKT | IC50 | = | 2544.0 | nM | 5.59 | Inhibition of AKT phosphorylation in human T47D cells harboring PI3Kalpha H1047R... | 38477582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38477582 | 10.1021/acs.jmedchem.4c00078 | Serine/threonine-protein kinase AKT | 2 |
| 38477582 | 10.1021/acs.jmedchem.4c00078 | T47D | 1 |
| 38477582 | 10.1021/acs.jmedchem.4c00078 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine