Compound Detail
CHEMBL4079663
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CC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)c2)C(c2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL4079663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFRXHHVTGYNJFD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
4.60
ALogP
9
HBA
1
HBD
106.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.05 | 9.025 | 0.9 | 2 |
| B-cell CHEMBL614701 | IC50 | 8.37 | 8.37 | 4.3 | 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 | = | 0.9 | nM | 9.05 | Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated fo... | 28108251 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 1.0 | nM | 9.0 | ADP-Glo Format PI3K Assay: The ADP-Glo format PI3K assays were performed in Prox... | - |
| B-cell | IC50 | = | 4.3 | nM | 8.37 | Antiproliferative activity against human B cells after 72 hrs by [3H]thymidine i... | 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 | 1 |
| 28108251 | 10.1016/j.bmcl.2017.01.016 | B-cell | 1 |
Data from ChEMBL 36 via Core Engine