Compound Detail
CHEMBL344803
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Basic Information
| ChEMBL ID | CHEMBL344803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEWUUAKZKQGOTR-GQCTYLIASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
3.51
ALogP
4
HBA
3
HBD
90.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.3 | 4.3 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 50000.0 | nM | 4.3 | Reduction of viral load in the cell supernatant. | 12361391 |
| Human immunodeficiency virus 1 | IC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361391 | 10.1021/jm020845g | Human immunodeficiency virus 1 | 3 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine