Compound Detail
CHEMBL3585594
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Basic Information
| ChEMBL ID | CHEMBL3585594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKFKHULZPJLBDI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.98
ALogP
7
HBA
0
HBD
79.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.75 | 4.75 | 18000.0 | 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 | = | 1000.0 | nM | 6.0 | Inhibition of N-terminal His-tagged human p110beta expressed in Sf9 cells co-exp... | 25890698 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of N-terminal His-tagged human p110delta expressed in Sf9 cells co-ex... | 25890698 |
| NON-PROTEIN TARGET | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of cell proliferation of human NZOV9 cells containing wild-type p53 p... | 25890698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25890698 | 10.1016/j.bmc.2015.03.073 | NON-PROTEIN TARGET | 2 |
| 25890698 | 10.1016/j.bmc.2015.03.073 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 25890698 | 10.1016/j.bmc.2015.03.073 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 25890698 | 10.1016/j.bmc.2015.03.073 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 25890698 | 10.1016/j.bmc.2015.03.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine