Compound Detail
CHEMBL2152776
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CC(C)(O)C1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1
Basic Information
| ChEMBL ID | CHEMBL2152776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQAMZRMXGKKUEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
4.80
ALogP
7
HBA
2
HBD
77.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.4 | 8.4 | 4.0 | 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 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of PI3K p110delta using PIP2 as substrate assessed as PIP3 formation ... | 22672799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22672799 | 10.1016/j.bmcl.2012.05.027 | Unchecked | 3 |
| 22672799 | 10.1016/j.bmcl.2012.05.027 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine