Compound Detail
CHEMBL398211
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Basic Information
| ChEMBL ID | CHEMBL398211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKZKDZIHUSQGMT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.69
ALogP
6
HBA
3
HBD
95.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.16 | 7.155 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of HIV1 integrase strand transfer activity | 17107799 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 70.79 | nM | 7.15 | Inhibition of HIV1 integrase strand transfer activity | 19327872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17107799 | 10.1016/j.bmcl.2006.10.054 | Human immunodeficiency virus type 1 integrase | 1 |
| 19327872 | 10.1016/j.ejmech.2009.03.001 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine