Compound Detail
CHEMBL182580
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Basic Information
| ChEMBL ID | CHEMBL182580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUGNSBAWTJXEEK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.58
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.52 | 7.535 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against wild type HIV-1 LAI cell line | 15481987 |
| Human immunodeficiency virus 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against HIV-1 mutant strain 103N | 15481987 |
| Human immunodeficiency virus 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibitory activity against HIV-1 mutant strain 181C | 15481987 |
| Human immunodeficiency virus 1 | IC50 | = | 250.0 | nM | 6.6 | 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