Compound Detail
CHEMBL58782
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Basic Information
| ChEMBL ID | CHEMBL58782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEQOYYYZFNJQSV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
197.2
MW (Da)
1.72
ALogP
4
HBA
1
HBD
69.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 4.18 | 4.18 | 65700.0 | 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 beta isoform | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of human PI3K p110beta catalytic subunit by AlphaScreen competition a... | 21169017 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human p110alpha PI3K fragment by AlphaScreen assay | 21169017 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 65700.0 | nM | 4.18 | Inhibition of human PI3K p110delta catalytic subunit by AlphaScreen assay | 21169017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3701782 | 10.1021/jm00155a009 | Canis familiaris | 3 |
| 7783130 | 10.1021/jm00011a018 | Unchecked | 1 |
| 3701782 | 10.1021/jm00155a009 | Phosphodiesterase 3 | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine