Compound Detail
CHEMBL159197
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Basic Information
| ChEMBL ID | CHEMBL159197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITVZWSVEAMQSDF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.2
MW (Da)
4.90
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine--tRNA ligase CHEMBL3367 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine--tRNA ligase | IC50 | = | 3.2 | nM | 8.49 | Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synth... | 12639554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639554 | 10.1016/s0960-894x(02)01027-2 | Methionine--tRNA ligase | 1 |
| 12639554 | 10.1016/s0960-894x(02)01027-2 | Staphylococcus aureus | 1 |
| 12639554 | 10.1016/s0960-894x(02)01027-2 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine