Compound Detail
CHEMBL564494
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Basic Information
| ChEMBL ID | CHEMBL564494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVJODVAZHSUSTI-UITAMQMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.1
MW (Da)
2.16
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of HIV1 integrase strand transfer activity | 19450984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Staphylococcus aureus | 6 |
| 19450984 | 10.1016/j.bmc.2009.04.058 | Human immunodeficiency virus type 1 integrase | 1 |
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Enterococcus faecalis | 1 |
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Bacillus subtilis | 1 |
| 29133041 | 10.1016/j.ejmech.2017.10.045 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine