Compound Detail
CHEMBL3717112
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Basic Information
| ChEMBL ID | CHEMBL3717112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOGRWJXEUUWXTR-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.53
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 17000.0 | nM | 4.77 | 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 | Escherichia coli | 3 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus epidermidis | 2 |
| 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