Compound Detail
CHEMBL1765610
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 | CHEMBL1765610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWNMYUCUGZGVSI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
9
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.38
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.47
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 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL1255165 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1110.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2410.0 | ng.hr.mL-1 | Mus musculus |
| CL | 15.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 2794.35 | nM | Mus musculus |
| Cmax | 2302.98 | nM | Mus musculus |
| F | 21.6 | % | Mus musculus |
| T1/2 | 1.46 | hr | Mus musculus |
| T1/2 | 0.05333 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human mTOR complex 1 after 30 mins by FRET assay | 21322566 |
| 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 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21322566 | 10.1021/jm101520v | Mus musculus | 11 |
| 21322566 | 10.1021/jm101520v | Unchecked | 2 |
| 21322566 | 10.1021/jm101520v | Liver | 1 |
| 21322566 | 10.1021/jm101520v | Serine/threonine-protein kinase mTOR | 1 |
| 21322566 | 10.1021/jm101520v | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine