Compound Detail
CHEMBL2216876
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Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL2216876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWHQPBKSJATHQB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
4.89
ALogP
8
HBA
2
HBD
111.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.52 | 7.91 | 0.3 | 2 |
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 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of PI3Kdelta | 22924688 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 500.0 | nM | 6.3 | Inhibition of PI3Kdelta by cell-based proliferation assay | 22924688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22924688 | 10.1021/jm300847w | Unchecked | 3 |
| 22924688 | 10.1021/jm300847w | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
Data from ChEMBL 36 via Core Engine