Compound Detail
CHEMBL58342
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Basic Information
| ChEMBL ID | CHEMBL58342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEATVZIPRJJFHJ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
-0.65
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 7.05 | 6.014 | 90.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 90.0 | nM | 7.05 | Effective concentration against HIV-1 in peripheral blood mononuclear cells (PBM... | 1597854 |
| ADMET | EC50 | = | 200.0 | nM | 6.7 | The compound was tested for antiviral activity against AZT sensitive strain 9F H... | 1597854 |
| ADMET | EC50 | = | 390.0 | nM | 6.41 | Antiviral activity was evaluated in mitogen-stimulated human peripheral blood mo... | 8421287 |
| ADMET | EC50 | = | 4900.0 | nM | 5.31 | The compound was tested for antiviral activity against AZT resistant strain 9F H... | 1597854 |
| ADMET | EC50 | = | 25000.0 | nM | 4.6 | The antiviral fold-increase activity of the compound (AZT-sensitive to AZT-resis... | 1597854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1597854 | 10.1021/jm00089a007 | ADMET | 8 |
| 1597854 | 10.1021/jm00089a007 | Vero | 1 |
| 8421287 | 10.1021/jm00053a004 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine