Compound Detail
CHEMBL5439895
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Basic Information
| ChEMBL ID | CHEMBL5439895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHVJYOHROCYLOP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.9
MW (Da)
3.59
ALogP
9
HBA
2
HBD
150.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.22 | 8.02 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.598 | nM | 9.22 | Antiviral activity against wild type HIV1 IIIB infected in human TZM-bl cells | 37130343 |
| Human immunodeficiency virus 1 | EC50 | = | 153.0 | nM | 6.82 | Antiviral activity against HIV1 harboring A17 mutant infected in human TZM-bl ce... | 37130343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37130343 | 10.1021/acs.jmedchem.2c02055 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine