Compound Detail
CHEMBL4447016
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 | CHEMBL4447016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLHIRLDDKVWCNU-AATRIKPKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
6.85
ALogP
4
HBA
2
HBD
68.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 5.29 | 5.29 | 5140.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.11 | 5.11 | 7766.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 5140.0 | nM | 5.29 | Antiviral activity against Enterovirus A71 infected in human RD cells assessed a... | 31082764 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 7766.0 | nM | 5.11 | Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 r... | 31082764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31082764 | 10.1016/j.ejmech.2019.04.048 | Enterovirus A71 | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | RD | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | Serine/threonine-protein kinase mTOR | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | mTORC1 | 1 |
| 31082764 | 10.1016/j.ejmech.2019.04.048 | mTORC2 | 1 |
Data from ChEMBL 36 via Core Engine