Compound Detail
CHEMBL157867
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Basic Information
| ChEMBL ID | CHEMBL157867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTPXQYNTBSMLKA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
507.2
MW (Da)
4.97
ALogP
4
HBA
3
HBD
66.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine--tRNA ligase CHEMBL3367 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine--tRNA ligase | IC50 | = | 7.8 | nM | 8.11 | Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synt... | 12639554 |
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Staphylococcus aureus MetRS assessed as decrease in [32S]methionin... | 18590962 |
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 |
| 18590962 | 10.1016/j.bmcl.2008.06.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine