Compound Detail
CHEMBL419485
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 | CHEMBL419485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXNRQBMIKWCSLN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
0.79
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24657566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2479745 | 10.1021/jm00132a002 | MT4 | 2 |
| 2479745 | 10.1021/jm00132a002 | Unchecked | 1 |
| 24657566 | 10.1016/j.ejmech.2014.03.013 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine