Compound Detail
CHEMBL1234114
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Basic Information
| ChEMBL ID | CHEMBL1234114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYHJWHYHRSDRDJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.24
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 7.0 | nM | 8.15 | Inhibition of PI3Kalpha (unknown origin) by kinase profiling assay | 37683364 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 7.0 | nM | 8.15 | Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated fo... | 24900173 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 76.0 | nM | 7.12 | Inhibition of AKT phosphorylation in human OVCAR-8 cells assessed as reduction i... | 37683364 |
| Unchecked | IC50 | = | 76.0 | nM | 7.12 | Inhibition of Akt phosphorylation at S473 residue (unknown origin) by cell based... | 24900173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37683364 | 10.1016/j.ejmech.2023.115762 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 37683364 | 10.1016/j.ejmech.2023.115762 | RAC-alpha serine/threonine-protein kinase | 1 |
| 24900173 | 10.1021/ml900028r | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 24900173 | 10.1021/ml900028r | Unchecked | 1 |
| 24900173 | 10.1021/ml900028r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine