Compound Detail
CHEMBL5285343
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Basic Information
| ChEMBL ID | CHEMBL5285343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUARMIDOOMLJAX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
3.74
ALogP
5
HBA
3
HBD
113.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.63 | 6.63 | 235.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.38 | 6.38 | 412.0 | 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 delta isoform | IC50 | = | 104.0 | nM | 6.98 | Inhibition of PI3Kdelta (unknown origin) by ADP Glo luminescent assay | 36706844 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 180.0 | nM | 6.75 | Inhibition of PI3Kgamma (unknown origin) | 36706844 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 235.0 | nM | 6.63 | Inhibition of PI3Kbeta (unknown origin) | 36706844 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 412.0 | nM | 6.38 | Inhibition of PI3Kalpha (unknown origin) | 36706844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36706844 | 10.1016/j.bmcl.2023.129152 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 36706844 | 10.1016/j.bmcl.2023.129152 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 36706844 | 10.1016/j.bmcl.2023.129152 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 36706844 | 10.1016/j.bmcl.2023.129152 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine