Compound Detail
CHEMBL434852
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COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL434852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPPJAYKTCZLBKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
537.8
MW (Da)
6.14
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proline--tRNA ligase, cytoplasmic CHEMBL4636 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proline--tRNA ligase, cytoplasmic | IC50 | = | 5700.0 | nM | 5.24 | Aminoacylation activity against Candida albicans prolyl-tRNA synthetase | 11229766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine