Compound Detail
CHEMBL270142
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Basic Information
| ChEMBL ID | CHEMBL270142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRQHPZFBGAKYRX-QPJJXVBHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
0.99
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Ki 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortase A CHEMBL5362 | IC50 | 5.96 | 5.525 | 1100.0 | 2 |
| Methionine aminopeptidase 1 CHEMBL2474 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortase A | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Staphylococcus aureus sortase A N24 deletion mutant using Abz-LPAT... | 38170998 |
| Sortase A | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of Staphylococcus aureus Sortase A N24 deletion mutant transpeptidati... | 38170998 |
| Methionine aminopeptidase 1 | Ki | = | 9000.0 | nM | 5.05 | Inhibition of human methionine aminopeptidase 1 | 18343108 |
| Unchecked | Ki | = | 12000.0 | nM | 4.92 | Inhibition of Escherichia coli methionine aminopeptidase 1 | 18343108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38170998 | 10.1021/acs.jmedchem.3c01615 | Sortase A | 2 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Unchecked | 1 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Methionine aminopeptidase 1 | 1 |
| 24361188 | 10.1016/j.bmc.2013.12.010 | Nakaseomyces glabratus | 1 |
| 24361188 | 10.1016/j.bmc.2013.12.010 | Candida albicans | 1 |
| 38170998 | 10.1021/acs.jmedchem.3c01615 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine