Compound Detail
CHEMBL226490
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Basic Information
| ChEMBL ID | CHEMBL226490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEDKKOHSRGHOOR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.22
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.77 | 5.02 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HIV1 integrase strand transfer activity | 17158051 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of HIV1 integrase 3'-end processing activity | 17158051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17158051 | 10.1016/j.bmc.2006.11.026 | Human immunodeficiency virus type 1 integrase | 2 |
| 17158051 | 10.1016/j.bmc.2006.11.026 | Human immunodeficiency virus 1 | 2 |
| 17158051 | 10.1016/j.bmc.2006.11.026 | PBMC | 1 |
| 17158051 | 10.1016/j.bmc.2006.11.026 | CCRF-CEM | 1 |
| 17158051 | 10.1016/j.bmc.2006.11.026 | Vero | 1 |
Data from ChEMBL 36 via Core Engine