Compound Detail
CHEMBL3814365
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Basic Information
| ChEMBL ID | CHEMBL3814365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZUIFYYZVSWWCN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
0.80
ALogP
9
HBA
1
HBD
107.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.82 | 5.82 | 1500.0 | 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 | Ki | = | 5.0 | nM | 8.3 | Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PI... | 27096040 |
| NON-PROTEIN TARGET | EC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human PC3 cells after 3 days by CellTitre-Glo... | 27096040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27096040 | 10.1021/acsmedchemlett.6b00005 | ADMET | 2 |
| 27096040 | 10.1021/acsmedchemlett.6b00005 | NON-PROTEIN TARGET | 1 |
| 27096040 | 10.1021/acsmedchemlett.6b00005 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine