Compound Detail
CHEMBL1765614
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Basic Information
| ChEMBL ID | CHEMBL1765614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCPYNULVVMREA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
4.03
ALogP
6
HBA
1
HBD
86.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL1255165 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | EC50 | = | 10.0 | nM | 8.0 | Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at T... | 21322566 |
| Unchecked | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human mTOR complex 1 after 30 mins by FRET assay | 21322566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21322566 | 10.1021/jm101520v | Serine/threonine-protein kinase mTOR | 1 |
| 21322566 | 10.1021/jm101520v | Unchecked | 1 |
| 21322566 | 10.1021/jm101520v | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine