Compound Detail
CHEMBL3358159
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Basic Information
| ChEMBL ID | CHEMBL3358159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCIBYDRYTVJJRQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
4.92
ALogP
4
HBA
2
HBD
91.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.64 | 8.2425 | 0.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.23 | nM | 9.64 | Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as re... | 25418038 |
| Human immunodeficiency virus 1 | EC50 | = | 0.23 | nM | 9.64 | Antiviral activity against HIV1 NL4-3 expressing reverse transcriptase K103N mut... | 25418038 |
| Human immunodeficiency virus 1 | EC50 | = | 16.0 | nM | 7.8 | Antiviral activity against HIV1 NL4-3 expressing reverse transcriptase Y181C mut... | 25418038 |
| Human immunodeficiency virus 1 | EC50 | = | 1273.0 | nM | 5.89 | Antiviral activity against HIV1 NL4-3 expressing reverse transcriptase Y188L mut... | 25418038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25418038 | 10.1021/jm5011622 | Human immunodeficiency virus 1 | 12 |
| 25418038 | 10.1021/jm5011622 | Unchecked | 1 |
| 25418038 | 10.1021/jm5011622 | MT4 | 1 |
| 25418038 | 10.1021/jm5011622 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine