Compound Detail
CHEMBL5173182
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5173182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNIZLUCMYNPQFL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
1.21
ALogP
9
HBA
1
HBD
114.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5220.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3608198 | IC50 | 5.08 | 5.08 | 8220.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.04 | 5.04 | 9100.0 | 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 | = | 1770.0 | nM | 5.75 | Inhibition of PI3Kalpha in rat Rat1 cells assessed as reduction in phosphorylati... | 35500094 |
| Unchecked | IC50 | = | 5220.0 | nM | 5.28 | Inhibition of PI3Kdelta in rat Rat1 cells assessed as reduction in phosphorylati... | 35500094 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 8220.0 | nM | 5.08 | Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction in phosphorylatio... | 35500094 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 9100.0 | nM | 5.04 | Displacement of Alexa Fluor labelled Tracer-314 from human N-terminal GST-tagged... | 35500094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Serine/threonine-protein kinase mTOR | 3 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Tubulin | 2 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 35500094 | 10.1021/acs.jmedchem.2c00267 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine