Compound Detail
CHEMBL223728
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Basic Information
| ChEMBL ID | CHEMBL223728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQWXINQFTUVPED-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.0
MW (Da)
5.52
ALogP
5
HBA
1
HBD
86.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.33 | 5.33 | 4710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 4710.0 | nM | 5.33 | Antiviral activity against wild type HIV1 3B in MT4 cells after 4 days by MTT me... | 17381078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17381078 | 10.1021/jm061167r | Human immunodeficiency virus 1 | 1 |
| 17381078 | 10.1021/jm061167r | MT4 | 1 |
| 17381078 | 10.1021/jm061167r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine