Compound Detail
CHEMBL357355
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Basic Information
| ChEMBL ID | CHEMBL357355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZOKMWXGAXPQIM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.6
MW (Da)
5.32
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.29
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proline--tRNA ligase, cytoplasmic CHEMBL4636 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.29 | 8.055 | 5.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proline--tRNA ligase, cytoplasmic | IC50 | = | 5.0 | nM | 8.3 | Aminoacylation activity against Candida albicans prolyl-tRNA synthetase | 11229766 |
| Unchecked | Ki | = | 5.1 | nM | 8.29 | Competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProR... | 11229766 |
| Unchecked | Ki | = | 15.0 | nM | 7.82 | Non-competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ... | 11229766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Unchecked | 2 |
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Proline--tRNA ligase, cytoplasmic | 1 |
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Bifunctional glutamate/proline--tRNA ligase | 1 |
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine