Compound Detail
CHEMBL3585605
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Basic Information
| ChEMBL ID | CHEMBL3585605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSYHTWGMZPWMGI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
1.85
ALogP
7
HBA
1
HBD
71.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.1 | 5.095 | 7900.0 | 2 |
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 | = | 450.0 | nM | 6.35 | Inhibition of N-terminal His-tagged human p110delta expressed in Sf9 cells co-ex... | 25890698 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 590.0 | nM | 6.23 | Inhibition of N-terminal His-tagged human p110beta expressed in Sf9 cells co-exp... | 25890698 |
| NON-PROTEIN TARGET | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of cell proliferation of human NZOV9 cells containing wild-type p53 p... | 25890698 |
| NON-PROTEIN TARGET | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of cell proliferation of human NZB5 cells containing wild-type p110al... | 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