Compound Detail
CHEMBL218518
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Basic Information
| ChEMBL ID | CHEMBL218518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTSYWXQRCZUWDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.85
ALogP
8
HBA
1
HBD
102.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 22.0 | nM | 7.66 | Antiviral activity against HIV1 3B in MT2 cells | 16931015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931015 | 10.1016/j.bmcl.2006.08.037 | MT2 | 1 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | Human immunodeficiency virus 1 | 1 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine