Compound Detail
CHEMBL201779
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Basic Information
| ChEMBL ID | CHEMBL201779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRCOUBBFKQRZLG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
4.54
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against wild-type HIV1 in MT2 cells by MTT assay | 16263277 |
| Human immunodeficiency virus 1 | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HIV1 3B in MT2 cells by MTT assay | 16298131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16263277 | 10.1016/j.bmcl.2005.10.038 | Human immunodeficiency virus 1 | 1 |
| 16263277 | 10.1016/j.bmcl.2005.10.038 | MT2 | 1 |
| 16298131 | 10.1016/j.bmcl.2005.10.037 | Human immunodeficiency virus 1 | 1 |
| 16298131 | 10.1016/j.bmcl.2005.10.037 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine