Compound Detail
CHEMBL4783277
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Basic Information
| ChEMBL ID | CHEMBL4783277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTNGECQUMLKSMU-VXGBXAGGSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.4
MW (Da)
0.88
ALogP
10
HBA
2
HBD
122.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.83 | 5.83 | 1483.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | Ki | = | 50.0 | nM | 7.3 | Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant h... | 33166139 |
| Unchecked | IC50 | = | 1483.0 | nM | 5.83 | Inhibition of mTOR2 in human A2058 cells assessed as reduction in PKB/Akt phosph... | 33166139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33166139 | 10.1021/acs.jmedchem.0c00620 | Unchecked | 3 |
| 33166139 | 10.1021/acs.jmedchem.0c00620 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 33166139 | 10.1021/acs.jmedchem.0c00620 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine