Compound Detail
CHEMBL1672321
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Basic Information
| ChEMBL ID | CHEMBL1672321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPIDKJCWNJVPJO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.06
ALogP
8
HBA
1
HBD
89.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.35
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| A2780 CHEMBL614004 | EC50 | 5.32 | 5.32 | 4840.0 | 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 | = | 8.0 | nM | 8.1 | Inhibition of PI3Kalpha after 15 mins | 24900252 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | EC50 | = | 450.0 | nM | 6.35 | Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 ce... | 24900252 |
| A2780 | EC50 | = | 4840.0 | nM | 5.32 | Antiproliferative activity against human A2780 cells | 24900252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 24900252 | 10.1021/ml1001932 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine