Compound Detail
CHEMBL8785
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 | CHEMBL8785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDKVLVHIBJWMJU-HNNXBMFYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.91
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.6 | 4.5267 | 25000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of murine splenocyte proliferation | 12502363 |
| Human immunodeficiency virus 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human peripheral blood mononuclear cell (PBMC)donor C proliferatio... | 12502363 |
| Human immunodeficiency virus 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of human peripheral blood mononuclear cell (PBMC)donor B proliferatio... | 12502363 |
| Human immunodeficiency virus 1 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human peripheral blood mononuclear cell (PBMC)donor A proliferatio... | 12502363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502363 | 10.1021/jm020909n | Human immunodeficiency virus 1 | 4 |
| 12502363 | 10.1021/jm020909n | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine