Compound Detail
CHEMBL201689
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL201689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQGOUSSTHKBBGB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.44
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Antiviral activity against HIV1 3B in MT2 cells | 16931015 |
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 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | MT2 | 1 |
| 16931015 | 10.1016/j.bmcl.2006.08.037 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine