Compound Detail
CHEMBL5219710
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Basic Information
| ChEMBL ID | CHEMBL5219710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVMZRJQIEUQWJM-VIFPVBQESA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.99
ALogP
9
HBA
3
HBD
147.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| mTORC1 CHEMBL4296661 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| mTORC2 CHEMBL4523999 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | Ki | = | 0.8 | nM | 9.1 | Binding affinity to mTOR (unknown origin) assessed as inhibition constant measur... | 35688004 |
| mTORC1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of mTORC1 in human A-431 cells assessed as phosphorylated S6RP level ... | 35688004 |
| mTORC2 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of mTORC2 in human A-431 cells assessed as phosphorylated AKT level i... | 35688004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35688004 | 10.1016/j.ejmech.2022.114498 | mTORC1 | 1 |
| 35688004 | 10.1016/j.ejmech.2022.114498 | mTORC2 | 1 |
| 35688004 | 10.1016/j.ejmech.2022.114498 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine