Compound Detail
CHEMBL484273
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 | CHEMBL484273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKGSTTAKYFDPMP-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
-0.16
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 4.9 | 4.9 | 12660.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.54 | 4.54 | 28550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.34 | 45640.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.22 | 4.22 | 59970.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.17 | 4.17 | 67940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 12660.0 | nM | 4.9 | Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay | 24316352 |
| HepG2 | IC50 | = | 28550.0 | nM | 4.54 | Cytotoxicity against human HepG2 cells after 24 hrs by SRB assay | 30096580 |
| Unchecked | IC50 | = | 45640.0 | nM | 4.34 | Cytotoxicity against human Caco cells after 24 hrs by SRB assay | 30096580 |
| HCT-116 | IC50 | = | 59970.0 | nM | 4.22 | Cytotoxicity against human HCT116 cells after 24 hrs by SRB assay | 30096580 |
| MCF7 | IC50 | = | 67940.0 | nM | 4.17 | Cytotoxicity against human MCF7 cells after 24 hrs by SRB assay | 30096580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 30096580 | 10.1016/j.ejmech.2018.06.061 | HCT-116 | 1 |
| 30654239 | 10.1016/j.ejmech.2018.12.017 | Shigella flexneri | 1 |
| 30654239 | 10.1016/j.ejmech.2018.12.017 | Klebsiella pneumoniae | 1 |
| 30654239 | 10.1016/j.ejmech.2018.12.017 | Proteus vulgaris | 1 |
| 30654239 | 10.1016/j.ejmech.2018.12.017 | Bacillus subtilis | 1 |
| 30654239 | 10.1016/j.ejmech.2018.12.017 | Streptococcus pyogenes | 1 |
| 30654239 | 10.1016/j.ejmech.2018.12.017 | Staphylococcus aureus | 1 |
| 30096580 | 10.1016/j.ejmech.2018.06.061 | HepG2 | 1 |
| 19326941 | 10.1021/jm900135r | Caspase-3 | 1 |
| 30096580 | 10.1016/j.ejmech.2018.06.061 | Unchecked | 1 |
| 30096580 | 10.1016/j.ejmech.2018.06.061 | MCF7 | 1 |
| 30096580 | 10.1016/j.ejmech.2018.06.061 | WI-38 | 1 |
| 24316352 | 10.1016/j.bmc.2013.11.028 | Replicase polyprotein 1ab | 1 |
| 19326941 | 10.1021/jm900135r | Caspase-8 | 1 |
| 19326941 | 10.1021/jm900135r | Caspase-1 | 1 |
| 19326941 | 10.1021/jm900135r | Caspase-7 | 1 |
| 19326941 | 10.1021/jm900135r | Caspase-6 | 1 |
Data from ChEMBL 36 via Core Engine