Compound Detail
CHEMBL5080466
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Basic Information
| ChEMBL ID | CHEMBL5080466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWUNQWRJOLMIGW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
1.36
ALogP
9
HBA
2
HBD
107.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.54 | 6.54 | 291.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.54 | 6.54 | 292.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.11 | 6.11 | 771.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.67 | 5.67 | 2117.0 | 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 | = | 292.0 | nM | 6.54 | Inhibition of human PI3Kalpha by TR-FRET based Adapta assay | 34802837 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 291.0 | nM | 6.54 | Inhibition of human PI3Kdelta by TR-FRET based Adapta assay | 34802837 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 771.0 | nM | 6.11 | Inhibition of human PI3Kgamma by TR-FRET based Adapta assay | 34802837 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 2117.0 | nM | 5.67 | Inhibition of human PI3Kbeta by TR-FRET based Adapta assay | 34802837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34802837 | 10.1016/j.ejmech.2021.113996 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 34802837 | 10.1016/j.ejmech.2021.113996 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 34802837 | 10.1016/j.ejmech.2021.113996 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 34802837 | 10.1016/j.ejmech.2021.113996 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine