Compound Detail
CHEMBL4517119
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 | CHEMBL4517119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGMBGPQBLYVTRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
3.41
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 760.0 | nM | 6.12 | Antiviral activity against HIV1 3B infected in human C8166 cells | 31401538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31401538 | 10.1016/j.ejmech.2019.111566 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine