Compound Detail
CHEMBL442222
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Basic Information
| ChEMBL ID | CHEMBL442222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZPLRVLXKFSQDS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.05
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against wild type HIV-1 LAI cell line | 15481987 |
| Human immunodeficiency virus 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against HIV-1 mutant strain 188L | 15481987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481987 | 10.1021/jm0407658 | Human immunodeficiency virus 1 | 5 |
Data from ChEMBL 36 via Core Engine