Compound Detail
CHEMBL112392
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 | CHEMBL112392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABICJYZKIYUWEE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
173.1
MW (Da)
-2.00
ALogP
5
HBA
2
HBD
118.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 1.7 | nM | 8.77 | Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition ... | 10464017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10464017 | 10.1021/jm981132u | Vero | 1 |
Data from ChEMBL 36 via Core Engine