Compound Detail
CHEMBL223071
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Basic Information
| ChEMBL ID | CHEMBL223071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMLMXOJSDNPNLS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.3
MW (Da)
3.41
ALogP
8
HBA
0
HBD
112.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2498 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| A549 CHEMBL392 | IC50 | 6.77 | 6.77 | 170.0 | 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 | = | 1.8 | nM | 8.74 | Inhibition of GST-tagged bovine PI3K p110-alpha by SPA | 17049248 |
| A549 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human A375 cells after 46 hrs | 17049248 |
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 |
Data from ChEMBL 36 via Core Engine