Compound Detail
CHEMBL4217733
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Basic Information
| ChEMBL ID | CHEMBL4217733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASXJFQBEPQZELJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
3.56
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.38 | 6.38 | 420.0 | 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 | = | 48.0 | nM | 7.32 | Inhibition of PI3Kdelta (unknown origin) by ADP Glo luminescent assay | 36706844 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 420.0 | nM | 6.38 | Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed ... | 28835805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28835805 | 10.1021/acsmedchemlett.7b00222 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 36706844 | 10.1016/j.bmcl.2023.129152 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine