Compound Detail
CHEMBL594473
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Basic Information
| ChEMBL ID | CHEMBL594473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZVOWIIIFAYFOJ-SDNWHVSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.60
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.12 | 5.985 | 760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 760.0 | nM | 6.12 | Inhibition of Staphylococcus aureus sortase A deltaN59 mutant assessed as Dap(Dn... | 19781950 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Bacillus anthracis sortase A by FRET assay | 19781950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781950 | 10.1016/j.bmc.2009.08.067 | Unchecked | 2 |
| 19781950 | 10.1016/j.bmc.2009.08.067 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine