Compound Detail
CHEMBL3309904
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Basic Information
| ChEMBL ID | CHEMBL3309904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRNBUPRKOYQWFN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
0.94
ALogP
6
HBA
3
HBD
113.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 8.48 | 8.07 | 3.3 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 3.3 | nM | 8.48 | Antiviral activity against pseudotyped HIV by luciferase reporter gene assay | 24908608 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9.3 | nM | 8.03 | Inhibition of recombinant HIV-1 integrase by strand-transfer assay | 24908608 |
| Human immunodeficiency virus | IC50 | = | 22.0 | nM | 7.66 | Antiviral activity against pseudotyped HIV by luciferase reporter gene assay in ... | 24908608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24908608 | 10.1016/j.bmcl.2014.05.011 | Human immunodeficiency virus | 2 |
| 24908608 | 10.1016/j.bmcl.2014.05.011 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine