Compound Detail
CHEMBL516021
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Basic Information
| ChEMBL ID | CHEMBL516021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHNNWENYRZGOLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
6.10
ALogP
6
HBA
1
HBD
67.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Puromycin-sensitive aminopeptidase CHEMBL2264 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Puromycin-sensitive aminopeptidase | IC50 | = | 1790.0 | nM | 5.75 | Inhibition of recombinant human puromycin sensitive aminopeptidase using Leu-pNA... | 26513642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19095455 | 10.1016/j.bmc.2008.11.062 | Plasmodium falciparum | 9 |
| 26513642 | 10.1016/j.ejmech.2015.10.026 | Unchecked | 2 |
| 26513642 | 10.1016/j.ejmech.2015.10.026 | A549 | 1 |
| 26513642 | 10.1016/j.ejmech.2015.10.026 | HeLa | 1 |
| 26513642 | 10.1016/j.ejmech.2015.10.026 | HepG2 | 1 |
| 26513642 | 10.1016/j.ejmech.2015.10.026 | Puromycin-sensitive aminopeptidase | 1 |
| 26513642 | 10.1016/j.ejmech.2015.10.026 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine