Compound Detail
CHEMBL3609545
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Basic Information
| ChEMBL ID | CHEMBL3609545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RADFLGJFRCVWSV-JTQLQIEISA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.65
ALogP
6
HBA
2
HBD
101.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.065 | 180.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.26 | 5.26 | 5500.0 | 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 | = | 26.0 | nM | 7.58 | Inhibition of PI3Kalpha (unknown origin) | 26206504 |
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of PI3Kalpha in rat Rat1 cells assessed as reduction of Akt phosphory... | 26206504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 810.0 | nM | 6.09 | Inhibition of PI3Kdelta (unknown origin) | 26206504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of PI3Kgamma (unknown origin) | 26206504 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of PI3Kgamma in rat Rat1 cells assessed as reduction of Akt phosphory... | 26206504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of PI3Kbeta (unknown origin) | 26206504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 2 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Unchecked | 2 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26206504 | 10.1016/j.bmcl.2015.06.078 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine