Compound Detail
CHEMBL4129079
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Basic Information
| ChEMBL ID | CHEMBL4129079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALXJHNYHJQEHBV-KHYOSLBOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
1.71
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortase A CHEMBL5362 | IC50 | 4.71 | 4.505 | 19400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortase A | IC50 | = | 19400.0 | nM | 4.71 | Inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activi... | 29650293 |
| Sortase A | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Staphylococcus aureus SrtA deltaN24 mutant assessed as decrease in... | 29650293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29650293 | 10.1016/j.bmcl.2018.04.005 | Sortase A | 5 |
| 29650293 | 10.1016/j.bmcl.2018.04.005 | Staphylococcus aureus | 2 |
Data from ChEMBL 36 via Core Engine