Compound Detail
CHEMBL5590872
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O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOC[C@H]3CO)n2)cc1)Nc1ccc2c(c1)COC2=O
Basic Information
| ChEMBL ID | CHEMBL5590872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCVKAXPGYIFKBX-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
1.89
ALogP
11
HBA
3
HBD
151.3
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 2.2 | nM | 8.66 | Inhibition of mTOR (unknown origin) by Lance ultra assay | 38661655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38661655 | 10.1021/acs.jmedchem.4c00173 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine