Compound Detail
CHEMBL4065659
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C[C@@H]1CNC[C@H](C)N1c1cccc(-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c1
Basic Information
| ChEMBL ID | CHEMBL4065659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKMRFDFNQYTUNP-HDICACEKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.38
ALogP
9
HBA
2
HBD
98.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.97 | 7.235 | 10.7 | 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 | = | 10.7 | nM | 7.97 | Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated fo... | 28108251 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 314.0 | nM | 6.5 | Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 exp... | 28108251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28108251 | 10.1016/j.bmcl.2017.01.016 | Unchecked | 3 |
| 28108251 | 10.1016/j.bmcl.2017.01.016 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
Data from ChEMBL 36 via Core Engine