Compound Detail
CHEMBL583861
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Basic Information
| ChEMBL ID | CHEMBL583861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPPRJOSLYNKCND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
1.56
ALogP
7
HBA
3
HBD
86.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.92 | 4.92 | 11878.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 11878.0 | nM | 4.92 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 20043638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20043638 | 10.1021/jm901530b | Human immunodeficiency virus 1 | 1 |
| 20043638 | 10.1021/jm901530b | MT4 | 1 |
Data from ChEMBL 36 via Core Engine