Compound Detail
CHEMBL5173125
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Basic Information
| ChEMBL ID | CHEMBL5173125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPCBBHHBAYNBTO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
0.53
ALogP
8
HBA
1
HBD
99.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
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 | = | 25.0 | nM | 7.6 | Inhibition of PI3Kalpha (unknown origin) by mobility shift assay | 36272186 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 25.0 | nM | 7.6 | Inhibition of His-tagged PI3Kalpha (unknown origin) in the presence of ATP by ki... | 38183777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36272186 | 10.1016/j.bmc.2022.117067 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 38183777 | 10.1016/j.ejmech.2023.116109 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine