Compound Detail
CHEMBL216317
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Basic Information
| ChEMBL ID | CHEMBL216317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLQVRJXQHXDPCO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
1.58
ALogP
6
HBA
3
HBD
98.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 7.5 | 10.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of HIV1 integrase strand transfer activity | 17428043 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of HIV integrase by strand transfer assay | 17154493 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant HIV1 integrase strand transfer activity | 18217703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154493 | 10.1021/jm060854f | Human immunodeficiency virus | 2 |
| 17428043 | 10.1021/jm070027u | Human immunodeficiency virus 1 | 2 |
| 18217703 | 10.1021/jm701164t | Human immunodeficiency virus 1 | 2 |
| 17154493 | 10.1021/jm060854f | Human immunodeficiency virus type 1 integrase | 1 |
| 17154493 | 10.1021/jm060854f | Plasma | 1 |
| 17428043 | 10.1021/jm070027u | Unchecked | 1 |
| 18217703 | 10.1021/jm701164t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine