Compound Detail
CHEMBL4846888
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Basic Information
| ChEMBL ID | CHEMBL4846888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJTHCLLGEBZNSS-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
4.54
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 10200.0 | nM | 4.99 | Cytotoxicity against human A549 cells | 33766773 |
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 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | A549 | 1 |
Data from ChEMBL 36 via Core Engine