Compound Detail
CHEMBL57382
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NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O
Basic Information
| ChEMBL ID | CHEMBL57382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEGVHTQFXXXPCN-NLLZAZKPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.3
MW (Da)
2.13
ALogP
7
HBA
3
HBD
134.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine--tRNA ligase, cytoplasmic CHEMBL2870 | IC50 | 7.16 | 6.65 | 70.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine--tRNA ligase, cytoplasmic | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS) | 15050625 |
| Unchecked | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Staphylococcus aureus MetRS assessed as decrease in [32S]methionin... | 18590962 |
| Methionine--tRNA ligase, cytoplasmic | IC50 | = | 730.0 | nM | 6.14 | Inhibition of Enterococci faecalis methionyl-tRNA synthetase (EfMetRS) | 15050625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050625 | 10.1016/j.bmcl.2004.01.094 | Methionine--tRNA ligase, cytoplasmic | 3 |
| 18590962 | 10.1016/j.bmcl.2008.06.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine