Compound Detail
CHEMBL2017969
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Basic Information
| ChEMBL ID | CHEMBL2017969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVQOEYYQNJINOI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
1.94
ALogP
9
HBA
3
HBD
134.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
IC50 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| A2780 CHEMBL614004 | EC50 | 5.5 | 5.5 | 3200.0 | 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 | = | 7.4 | nM | 8.13 | Inhibition of PI3Kalpha using 1-alpha-phosphatidylinositol as substrate by ATP d... | 24900266 |
| A2780 | EC50 | = | 3200.0 | nM | 5.5 | Antiproliferative activity against human A2780 cells after 3 days by CellTiter-G... | 24900266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900266 | 10.1021/ml200156t | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 24900266 | 10.1021/ml200156t | A2780 | 1 |
Data from ChEMBL 36 via Core Engine