Compound Detail
CHEMBL2205772
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Basic Information
| ChEMBL ID | CHEMBL2205772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUFIBKUHDBFWOD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.55
ALogP
7
HBA
1
HBD
106.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform CHEMBL3885617 | IC50 | 5.7 | 5.7 | 1995.3 | 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 gamma isoform | IC50 | = | 25.12 | nM | 7.6 | Inhibition of PI3Kgamma by kinobeads assay | 22726925 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of PI3Kgamma/delta by neutrophil migration assay | 22726925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22726925 | 10.1016/j.bmcl.2012.05.090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 22726925 | 10.1016/j.bmcl.2012.05.090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform | 1 |
| 22726925 | 10.1016/j.bmcl.2012.05.090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 22726925 | 10.1016/j.bmcl.2012.05.090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 22726925 | 10.1016/j.bmcl.2012.05.090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
Data from ChEMBL 36 via Core Engine