Compound Detail
CHEMBL1762779
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 | CHEMBL1762779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTRNQOMQZCJUIY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.66
ALogP
7
HBA
2
HBD
88.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.8 | 5.66 | 1600.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation... | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of PI3Kalpha | 21376583 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-... | 21376583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Serine/threonine-protein kinase mTOR | 3 |
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine