Compound Detail
CHEMBL57285
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL57285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWLVFWDCSFTDOD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
1.44
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortase A CHEMBL5362 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortase A | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of Staphylococcus aureus Sortase A | 21035332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Sortase A | 2 |
| 11459664 | 10.1016/s0960-894x(01)00325-0 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Isocitrate lyase | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Staphylococcus aureus | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Bacillus subtilis | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Salmonella typhimurium | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Proteus vulgaris | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Micrococcus luteus | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine