Compound Detail
CHEMBL3319492
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CC(Nc1cc(F)c(F)c(F)c1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
Basic Information
| ChEMBL ID | CHEMBL3319492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFYAJUKJZQHIIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
2.82
ALogP
7
HBA
1
HBD
79.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 7.96 | 7.96 | 11.0 | 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 beta isoform | IC50 | = | 11.0 | nM | 7.96 | Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser47... | 24992874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24992874 | 10.1016/j.bmcl.2014.06.040 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 24992874 | 10.1016/j.bmcl.2014.06.040 | Hepatocyte | 1 |
| 24992874 | 10.1016/j.bmcl.2014.06.040 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine