Compound Detail
CHEMBL427066
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Basic Information
| ChEMBL ID | CHEMBL427066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNMDVPJYMAQFNR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.88
ALogP
6
HBA
0
HBD
69.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2498 | IC50 | 6.17 | 6.17 | 670.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 4.64 | 4.64 | 23000.0 | 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 | = | 670.0 | nM | 6.17 | Inhibition of GST-tagged bovine PI3K p110-alpha by SPA | 17049248 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 670.0 | nM | 6.17 | Inhibition of GST-tagged bovine p110-alpha expressed in SF9/Baculovirus system b... | 17601739 |
| A549 | IC50 | = | 23000.0 | nM | 4.64 | Antiproliferative activity against human A375 cells after 46 hrs | 17049248 |
| A-375 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of serum-induced proliferation of human A375 cells | 17601739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17049248 | 10.1016/j.bmc.2006.09.047 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 17049248 | 10.1016/j.bmc.2006.09.047 | A549 | 1 |
| 17601739 | 10.1016/j.bmc.2007.05.070 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 17601739 | 10.1016/j.bmc.2007.05.070 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine