Compound Detail
CHEMBL567916
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Basic Information
| ChEMBL ID | CHEMBL567916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDECLXAHXDUCCV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.7
MW (Da)
3.85
ALogP
3
HBA
1
HBD
61.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 3.0 | nM | 8.52 | Antiviral activity against HIV RF infected in human SupT1 cells | 19748778 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of HIV reverse transcriptase | 19748778 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 39000.0 | nM | 4.41 | Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells | 19748778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Human immunodeficiency virus | 2 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Unchecked | 1 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | ADMET | 1 |
| 19748778 | 10.1016/j.bmcl.2009.08.080 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine