Compound Detail
CHEMBL5183913
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Basic Information
| ChEMBL ID | CHEMBL5183913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FISSFKZTKHNKSV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
1.75
ALogP
7
HBA
2
HBD
109.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 6.6 | 6.6 | 249.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.88 | 5.88 | 1305.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3608198 | IC50 | 5.85 | 5.85 | 1405.0 | 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 | = | 249.0 | nM | 6.6 | Inhibition of PI3Kalpha in rat Rat1 cells assessed as reduction in phosphorylati... | 35500094 |
| Unchecked | IC50 | = | 1305.0 | nM | 5.88 | Inhibition of PI3Kdelta in rat Rat1 cells assessed as reduction in phosphorylati... | 35500094 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 1405.0 | nM | 5.85 | Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction in phosphorylatio... | 35500094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500094 | 10.1021/acs.jmedchem.2c00267 | ADMET | 2 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine