Compound Detail
CHEMBL5557278
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Basic Information
| ChEMBL ID | CHEMBL5557278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXOCIODBCOEAPN-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
6.65
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.79
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against HIV1 | 36787657 |
| Unchecked | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of HIV-1 RNA-dependent RNA polymerase | 36787657 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 16100.0 | nM | 4.79 | Inhibition of HIV-1 reverse transcriptase associated RNA-dependent DNA polymeras... | 36787657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36787657 | 10.1016/j.ejmech.2023.115196 | Unchecked | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | Human immunodeficiency virus 1 | 1 |
| 36787657 | 10.1016/j.ejmech.2023.115196 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine