Compound Detail
CHEMBL3585614
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Basic Information
| ChEMBL ID | CHEMBL3585614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIFDYLMXHVDYSD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
0.86
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.19 | 5.19 | 6500.0 | 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 alpha isoform | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of N-terminal His-tagged human p110alpha expressed in Sf9 cells co-ex... | 25890698 |
| NON-PROTEIN TARGET | IC50 | = | 18000.0 | nM | 4.75 | 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