Compound Detail
CHEMBL3747587
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Basic Information
| ChEMBL ID | CHEMBL3747587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIEKOKLABHBCGI-FEBSWUBLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.14
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MES-SA CHEMBL614343 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MES-SA | IC50 | = | 81000.0 | nM | 4.09 | Cytotoxicity against human MES-SA cells assessed as cell growth inhibition incub... | 35640378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640378 | 10.1016/j.bmc.2022.116855 | MES-SA | 3 |
| 35640378 | 10.1016/j.bmc.2022.116855 | MES-SA/Dx5 | 3 |
| 26639761 | 10.1016/j.bmcl.2015.11.058 | Staphylococcus aureus | 2 |
| 26639761 | 10.1016/j.bmcl.2015.11.058 | Escherichia coli | 2 |
| 35640378 | 10.1016/j.bmc.2022.116855 | Unchecked | 2 |
| 26639761 | 10.1016/j.bmcl.2015.11.058 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine