Compound Detail
CHEMBL4535169
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COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc(OC)c(NS(=O)(=O)C6CC6)c5)ccc4ncc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4535169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOCCAPIDGQCROV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
3.92
ALogP
9
HBA
1
HBD
117.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.23 | 8.23 | 5.9 | 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 | = | 5.9 | nM | 8.23 | Inhibition of human PI3Kdelta using PIP2 as substrate after 1 hr | 30975623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30975623 | 10.1016/j.bmcl.2019.04.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
Data from ChEMBL 36 via Core Engine