Compound Detail
CHEMBL3718103
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Basic Information
| ChEMBL ID | CHEMBL3718103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MISUEOPRLQANBO-OUKQBFOZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
4.13
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.6 | 5.54 | 2500.0 | 2 |
| NCI-H82 CHEMBL2366077 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of cell proliferation of human U937 cells incubated for 72 hrs by Ala... | - |
| NON-PROTEIN TARGET | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of cell proliferation of human Calu6 cells incubated for 72 hrs by Al... | - |
| NCI-H82 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of cell proliferation of human NCI-H82 cells incubated for 72 hrs by ... | - |
| Jurkat | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of cell proliferation of human Jurkat cells incubated for 72 hrs by A... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus epidermidis | 3 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Escherichia coli | 3 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus aureus | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Enterococcus faecalis | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine