Compound Detail
CHEMBL3288945
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Basic Information
| ChEMBL ID | CHEMBL3288945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXEJTHPNNOJYJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.41
ALogP
7
HBA
3
HBD
103.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag... | 24794743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24794743 | 10.1016/j.bmc.2014.04.016 | Human immunodeficiency virus type 1 integrase | 3 |
| 24794743 | 10.1016/j.bmc.2014.04.016 | Human immunodeficiency virus 1 | 1 |
| 24794743 | 10.1016/j.bmc.2014.04.016 | C8166 | 1 |
| 24794743 | 10.1016/j.bmc.2014.04.016 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine