Compound Detail
CHEMBL2216901
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Basic Information
| ChEMBL ID | CHEMBL2216901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUFSMSPXQAGYLS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.20
ALogP
7
HBA
1
HBD
60.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.77 | 7.77 | 17.0 | 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 | Ki | = | 4.9 | nM | 8.31 | Inhibition of PI3Kdelta | 22924688 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 17.0 | nM | 7.77 | Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 prod... | 22924688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22924688 | 10.1021/jm300847w | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
| 22924688 | 10.1021/jm300847w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine