Compound Detail
CHEMBL1641935
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Basic Information
| ChEMBL ID | CHEMBL1641935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLKDPRUXCGOLFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.9
MW (Da)
5.05
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.66 | 5.66 | 2190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 2190.0 | nM | 5.66 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 20973551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20973551 | 10.1021/np100506z | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine