Compound Detail
CHEMBL5177554
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Basic Information
| ChEMBL ID | CHEMBL5177554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QATXOFGLOAQGRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.99
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 4.53 | 4.53 | 29600.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 4.07 | 4.07 | 85900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 29600.0 | nM | 4.53 | Antibacterial activity against methicillin-resistant Staphylococcus aureus asses... | 35271771 |
| HaCaT | IC50 | = | 85900.0 | nM | 4.07 | Cytotoxicity against human HaCaT cells assessed as reduction in cell viability i... | 35271771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35271771 | 10.1021/acs.jnatprod.1c01035 | Staphylococcus aureus | 1 |
| 35271771 | 10.1021/acs.jnatprod.1c01035 | ADMET | 1 |
| 35271771 | 10.1021/acs.jnatprod.1c01035 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine